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1-[N-Benzyl-N-[3-bromo-5-(4-methoxyphenyl)pyrazin-2-yl]amino]pyridinium bromide
SpectraBase Compound ID CRo34AOtWlg
InChI InChI=1S/C23H20BrN4O.BrH/c1-29-20-12-10-19(11-13-20)21-16-25-23(22(24)26-21)28(27-14-6-3-7-15-27)17-18-8-4-2-5-9-18;/h2-16H,17H2,1H3;1H/q+1;/p-1
InChIKey GHQVSVRNSMSGPC-UHFFFAOYSA-M
Mol Weight 528.25 g/mol
Molecular Formula C23H20Br2N4O
Exact Mass 526.000387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4CvaPNMH0cv
Name 1-[N-Benzyl-N-[3-bromo-5-(4-methoxyphenyl)pyrazin-2-yl]amino]pyridinium bromide
Appearance White solid
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Formula C23H20Br2N4O
InChI InChI=1S/C23H20BrN4O.BrH/c1-29-20-12-10-19(11-13-20)21-16-25-23(22(24)26-21)28(27-14-6-3-7-15-27)17-18-8-4-2-5-9-18;/h2-16H,17H2,1H3;1H/q+1;/p-1
InChIKey GHQVSVRNSMSGPC-UHFFFAOYSA-M
Instrument Name Hewlett-Packard 5988A
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.720
Molecular Weight 528.248 g/mol
Reported Formula C23H20(79)BrN4O
SMILES [Br-].c1cc(ccc1OC)-c1nc(c(nc1)N([n+]1ccccc1)Cc1ccccc1)Br
SPLASH splash10-01t9-1090000000-fd7f5ddad66bd5fdccd4
Source of Spectrum ARK-2014-329-9c
Wiley ID 1845646