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N-(3-cyano-4-(4-methoxyphenyl)-5-oxo-5H-dipyrido[1,2-a:3',2'-e]pyrimidin-2-yl)acetamide
SpectraBase Compound ID 7W4Bq3zzeQg
InChI InChI=1S/C21H15N5O3/c1-12(27)23-19-15(11-22)17(13-6-8-14(29-2)9-7-13)18-20(25-19)26-10-4-3-5-16(26)24-21(18)28/h3-10H,1-2H3,(H,23,25,27)
InChIKey GPCWUVCTVRLDEM-UHFFFAOYSA-N
Mol Weight 385.38 g/mol
Molecular Formula C21H15N5O3
Exact Mass 385.117489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 755sXA69X3K
Name N-(3-cyano-4-(4-methoxyphenyl)-5-oxo-5H-dipyrido[1,2-a:3',2'-e]pyrimidin-2-yl)acetamide
Appearance Dark brown
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15N5O3
InChI InChI=1S/C21H15N5O3/c1-12(27)23-19-15(11-22)17(13-6-8-14(29-2)9-7-13)18-20(25-19)26-10-4-3-5-16(26)24-21(18)28/h3-10H,1-2H3,(H,23,25,27)
InChIKey GPCWUVCTVRLDEM-UHFFFAOYSA-N
Instrument Name Schimadzu-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4109
Molecular Weight 385.383 g/mol
SMILES N(C(C)=O)c1c(c(c2C(N=C3N(c2n1)C=CC=C3)=O)-c1ccc(cc1)OC)C#N
SPLASH splash10-014i-1092000000-64b37dbb1ccef5139f14
Source of Spectrum Y-57-4001-4b
Wiley ID 1859903