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(E)-3-({5-Amino-4-[(E)-(4-hydroxyphenyl)diazinyl]-1H-pyrazol-3-yl}imino)-5-(piperidin-1-ylsulfonyl)indolin-2-one
SpectraBase Compound ID 1q9OnFymBV6
InChI InChI=1S/C22H22N8O4S/c23-20-19(27-26-13-4-6-14(31)7-5-13)21(29-28-20)25-18-16-12-15(8-9-17(16)24-22(18)32)35(33,34)30-10-2-1-3-11-30/h4-9,12,31H,1-3,10-11H2,(H4,23,24,25,28,29,32)/b27-26+
InChIKey CLVDYDZDWQVJLM-CYYJNZCTSA-N
Mol Weight 494.53 g/mol
Molecular Formula C22H22N8O4S
Exact Mass 494.148472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GioDfN0pAop
Name (E)-3-({5-Amino-4-[(E)-(4-hydroxyphenyl)diazinyl]-1H-pyrazol-3-yl}imino)-5-(piperidin-1-ylsulfonyl)indolin-2-one
Appearance Brown powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N8O4S
InChI InChI=1S/C22H22N8O4S/c23-20-19(27-26-13-4-6-14(31)7-5-13)21(29-28-20)25-18-16-12-15(8-9-17(16)24-22(18)32)35(33,34)30-10-2-1-3-11-30/h4-9,12,31H,1-3,10-11H2,(H4,23,24,25,28,29,32)/b27-26+
InChIKey CLVDYDZDWQVJLM-CYYJNZCTSA-N
Instrument Name Thermo Scientific ISQLT
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202100266
Molecular Weight 494.530 g/mol
SMILES Nc1c(c(\N=C\2C(Nc3c2cc(cc3)S(N2CCCCC2)(=O)=O)=O)n[nH]1)\N=N\c1ccc(cc1)O
SPLASH splash10-000i-5335900000-f1ba6e74d5ca155f0016
Source of Spectrum APC-355-SM10-8a
Wiley ID 1868679