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3-(2-Chloro-6-methylquinolin-3-yl)-2-cyano-N-(3-cyano-4,6-dimethyl-2-oxopyridin-1(2H)-yl)acrylamide
SpectraBase Compound ID 5P1DxsNEE3J
InChI InChI=1S/C22H16ClN5O2/c1-12-4-5-19-15(6-12)8-16(20(23)26-19)9-17(10-24)21(29)27-28-14(3)7-13(2)18(11-25)22(28)30/h4-9H,1-3H3,(H,27,29)/b17-9+
InChIKey TYZBEWYGBRCLIM-RQZCQDPDSA-N
Mol Weight 417.86 g/mol
Molecular Formula C22H16ClN5O2
Exact Mass 417.099252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7vKbv9zcB7D
Name 3-(2-Chloro-6-methylquinolin-3-yl)-2-cyano-N-(3-cyano-4,6-dimethyl-2-oxopyridin-1(2H)-yl)acrylamide
Appearance Green powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16ClN5O2
InChI InChI=1S/C22H16ClN5O2/c1-12-4-5-19-15(6-12)8-16(20(23)26-19)9-17(10-24)21(29)27-28-14(3)7-13(2)18(11-25)22(28)30/h4-9H,1-3H3,(H,27,29)/b17-9+
InChIKey TYZBEWYGBRCLIM-RQZCQDPDSA-N
Instrument Name MS-50 Kratos
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p009.722
Molecular Weight 417.856 g/mol
SMILES N(N1C(C(=C(C=C1C)C)C#N)=O)C(\C(=C\c1cc2c(nc1Cl)ccc(c2)C)C#N)=O
SPLASH splash10-03di-0900100000-ed833e7773bd65b00292
Source of Spectrum ARK-2016-311-5g
Wiley ID 1840770