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6-amino-4-(4-nitrophenyl)-2-oxo-1-(((2-oxo-4-(piperidin-1-yl)-2H-chromen-3-yl)methylene)amino)-1,2-dihydropyridine-3,5-dicarbonitrile

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6-amino-4-(4-nitrophenyl)-2-oxo-1-(((2-oxo-4-(piperidin-1-yl)-2H-chromen-3-yl)methylene)amino)-1,2-dihydropyridine-3,5-dicarbonitrile
SpectraBase Compound ID LMYWN6UgQR1
InChI InChI=1S/C28H21N7O5/c29-14-20-24(17-8-10-18(11-9-17)35(38)39)21(15-30)27(36)34(26(20)31)32-16-22-25(33-12-4-1-5-13-33)19-6-2-3-7-23(19)40-28(22)37/h2-3,6-11,16H,1,4-5,12-13,31H2
InChIKey KIUOGUBBNNTZNO-UHFFFAOYSA-N
Mol Weight 535.52 g/mol
Molecular Formula C28H21N7O5
Exact Mass 535.160417 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35lPuxpGOO
Name 6-amino-4-(4-nitrophenyl)-2-oxo-1-(((2-oxo-4-(piperidin-1-yl)-2H-chromen-3-yl)methylene)amino)-1,2-dihydropyridine-3,5-dicarbonitrile
Appearance Brown crystals
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 535.160416799 u
Formula C28H21N7O5
InChI InChI=1S/C28H21N7O5/c29-14-20-24(17-8-10-18(11-9-17)35(38)39)21(15-30)27(36)34(26(20)31)32-16-22-25(33-12-4-1-5-13-33)19-6-2-3-7-23(19)40-28(22)37/h2-3,6-11,16H,1,4-5,12-13,31H2
InChIKey KIUOGUBBNNTZNO-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS QP1000EX
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202300706
Molecular Weight 535.520 g/mol
Quality 27
SMILES NC1=C(C(=C(C(N1N=CC=1C(OC2=C(C1N1CCCCC1)C=CC=C2)=O)=O)C#N)C1=CC=C(C=C1)[N+](=O)[O-])C#N
SPLASH splash10-0axs-0294820000-02a037f66c78be262bd7
Source of Spectrum CBD-20-SM53-18 (DOI: 10.1002/cbdv.202300706)
Wiley ID 1911324