![(E)-3-({5-Amino-4-[(E)-(4-hydroxyphenyl)diazinyl]-1H-pyrazol-3-yl}imino)-5-(piperidin-1-ylsulfonyl)indolin-2-one](/api/spectrum/GioDfN0pAop/structure.png?h=300&w=458 "(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)
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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 |