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1-[N-Benzyl-N-(3-bromo-5-phenylpyrazin-2-yl)amino]pyridinium bromide
SpectraBase Compound ID 3hcDbiu42Wq
InChI InChI=1S/C22H18BrN4.BrH/c23-21-22(24-16-20(25-21)19-12-6-2-7-13-19)27(26-14-8-3-9-15-26)17-18-10-4-1-5-11-18;/h1-16H,17H2;1H/q+1;/p-1
InChIKey SBUOVUIQZDAHBX-UHFFFAOYSA-M
Mol Weight 498.22 g/mol
Molecular Formula C22H18Br2N4
Exact Mass 495.989823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSG8qcllyfC
Name 1-[N-Benzyl-N-(3-bromo-5-phenylpyrazin-2-yl)amino]pyridinium bromide
Appearance Beige solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18Br2N4
InChI InChI=1S/C22H18BrN4.BrH/c23-21-22(24-16-20(25-21)19-12-6-2-7-13-19)27(26-14-8-3-9-15-26)17-18-10-4-1-5-11-18;/h1-16H,17H2;1H/q+1;/p-1
InChIKey SBUOVUIQZDAHBX-UHFFFAOYSA-M
Instrument Name Hewlett-Packard 5988A
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.720
Molecular Weight 498.222 g/mol
Reported Formula C22H18(79)BrN4
SMILES [Br-].c1cc(ccc1)-c1nc(c(nc1)N([n+]1ccccc1)Cc1ccccc1)Br
SPLASH splash10-002r-1009000000-dba7fb6cbb4f1d9dfa39
Source of Spectrum ARK-2014-329-9a
Wiley ID 1845644