ACCESSION: MSBNK-EPA-ENTACT_AGILENT000625
RECORD_TITLE: 1,3-Dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1,3-Dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CH$NAME: DTXSID9047259
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₄Cl₂N₂
CH$EXACT_MASS: 268.0534038814
CH$SMILES: ClC1C=C(Cl)C2CN3CCCCCC3=NC=2C=1
CH$IUPAC: InChI=1S/C13H14Cl2N2/c14-9-6-11(15)10-8-17-5-3-1-2-4-13(17)16-12(10)7-9/h6-7H,1-5,8H2
CH$LINK: CAS 149028-28-4
CH$LINK: INCHIKEY WTPSHLVHJOJDIF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:18992283

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$FOCUSED_ION: PRECURSOR_M/Z 269.0606803331
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014i-0090000000-38d58cf6194557e6f672
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
269.06068 99.999998 999
//