ACCESSION: MSBNK-EPA-ENTACT_AGILENT000866
RECORD_TITLE: 3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea); ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea)
CH$NAME: DTXSID0044606
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₀N₄O₂
CH$EXACT_MASS: 264.1586259122
CH$SMILES: CC1=CC=C(C=C1NC(=O)N(C)C)NC(=O)N(C)C
CH$IUPAC: InChI=1S/C13H20N4O2/c1-9-6-7-10(14-12(18)16(2)3)8-11(9)15-13(19)17(4)5/h6-8H,1-5H3,(H,14,18)(H,15,19)
CH$LINK: CAS 17526-94-2
CH$LINK: INCHIKEY KDQTUCKOAOGTLT-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:87146

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 40

MS$FOCUSED_ION: PRECURSOR_M/Z 265.1659023639
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-9000000000-7c79889e9ef2f230299d
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  44.049476 1.533966 15
  46.065126 99.999998 999
  46.098831 1.119392 11
  72.04439 37.212706 371
  77.038577 1.0874 10
  132.04439 1.468587 14
  147.055289 1.810311 18
  162.078764 1.103468 11
//