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MassBank Record: MSBNK-EPA-ENTACT_AGILENT002237

N,N-Dicyclohexyl-2-benzothiazolesulfenamide; ESI-QTOF; MS2; CE: 10; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-EPA-ENTACT_AGILENT002237
RECORD_TITLE: N,N-Dicyclohexyl-2-benzothiazolesulfenamide; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N,N-Dicyclohexyl-2-benzothiazolesulfenamide
CH$NAME: DTXSID3027584
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H26N2S2
CH$EXACT_MASS: 346.1537403042
CH$SMILES: C1CCCCC1N(SC1=NC2C=CC=CC=2S1)C1CCCCC1
CH$IUPAC: InChI=1S/C19H26N2S2/c1-3-9-15(10-4-1)21(16-11-5-2-6-12-16)23-19-20-17-13-7-8-14-18(17)22-19/h7-8,13-16H,1-6,9-12H2
CH$LINK: CAS 4979-32-2
CH$LINK: INCHIKEY CMAUJSNXENPPOF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:21080

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 347.1610167559
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-0319000000-2bab2ce03899ff3eb622
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  138.127726 3.05215 30
  180.174676 23.191022 231
  181.182501 12.777677 127
  183.004516 1.016501 10
  265.082766 12.844332 128
  347.161017 99.999999 999
//

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