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4-Amino-(1-(4-benzylamino)butyl)-7-chloroquinolinium bromide
SpectraBase Compound ID A4HxV9s48T3
InChI InChI=1S/C20H22ClN3.BrH/c21-17-8-9-18-19(22)10-13-24(20(18)14-17)12-5-4-11-23-15-16-6-2-1-3-7-16;/h1-3,6-10,13-14,22-23H,4-5,11-12,15H2;1H
InChIKey PECUJXVMMROTIN-UHFFFAOYSA-N
Mol Weight 420.782 g/mol
Molecular Formula C20H23BrClN3
Exact Mass 419.076388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HYG1BlzKfl
Name 4-Amino-(1-(4-benzylamino)butyl)-7-chloroquinolinium bromide
Appearance Beige crystals
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Formula C20H23BrClN3
InChI InChI=1S/C20H22ClN3.BrH/c21-17-8-9-18-19(22)10-13-24(20(18)14-17)12-5-4-11-23-15-16-6-2-1-3-7-16;/h1-3,6-10,13-14,22-23H,4-5,11-12,15H2;1H
InChIKey PECUJXVMMROTIN-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Molecular Weight 420.782 g/mol
SMILES N(CCCC[n+]1c2c(c(cc1)N)ccc(c2)Cl)Cc1ccccc1.[Br-]
SPLASH splash10-002f-9800000000-5ce409c7fe7f1f07993b
Source of Spectrum WO2012041493A1
Wiley ID 1845351