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4-amino-6-hydroxy-2-oxo-1-[1-(4-(piperidin-1-ylsulfonyl)phenyl)ethylideneamino]-1,2-dihydropyridine-3-carbonitrile
SpectraBase Compound ID 2ilsgjYnZxQ
InChI InChI=1S/C19H21N5O4S/c1-13(22-24-18(25)11-17(21)16(12-20)19(24)26)14-5-7-15(8-6-14)29(27,28)23-9-3-2-4-10-23/h5-8,11,25H,2-4,9-10,21H2,1H3/b22-13+
InChIKey JHLKOFZUEGEUHY-LPYMAVHISA-N
Mol Weight 415.47 g/mol
Molecular Formula C19H21N5O4S
Exact Mass 415.131425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EMks5Km8Lar
Name 4-amino-6-hydroxy-2-oxo-1-[1-(4-(piperidin-1-ylsulfonyl)phenyl)ethylideneamino]-1,2-dihydropyridine-3-carbonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21N5O4S
InChI InChI=1S/C19H21N5O4S/c1-13(22-24-18(25)11-17(21)16(12-20)19(24)26)14-5-7-15(8-6-14)29(27,28)23-9-3-2-4-10-23/h5-8,11,25H,2-4,9-10,21H2,1H3/b22-13+
InChIKey JHLKOFZUEGEUHY-LPYMAVHISA-N
Molecular Weight 415.468 g/mol
SMILES OC1=CC(=C(C(N1\N=C\(c1ccc(S(N2CCCCC2)(=O)=O)cc1)C)=O)C#N)N
SPLASH splash10-004i-9000000000-0bbdce719815c3e6b897
Source of Spectrum F2-46-140-17
Wiley ID 1690185