![(E)-2-cyano-3-(3-methyl-1-phenyl-5-(piperidin-1-yl)-1H-pyrazol-4-yl)-N-[4-(aminosulfonyl)phenyl]acrylamide](/api/spectrum/Ef4XMJmtzPN/structure.png?h=300&w=458 "(E)-2-cyano-3-(3-methyl-1-phenyl-5-(piperidin-1-yl)-1H-pyrazol-4-yl)-N-[4-(aminosulfonyl)phenyl]acrylamide")
| SpectraBase Compound ID | HezxQoIGxC6 |
|---|---|
| InChI | InChI=1S/C25H26N6O3S/c1-18-23(16-19(17-26)24(32)28-20-10-12-22(13-11-20)35(27,33)34)25(30-14-6-3-7-15-30)31(29-18)21-8-4-2-5-9-21/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,28,32)(H2,27,33,34)/b19-16+ |
| InChIKey | AIBGPPORDANDEY-KNTRCKAVSA-N |
| Mol Weight | 490.58 g/mol |
| Molecular Formula | C25H26N6O3S |
| Exact Mass | 490.17871 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ef4XMJmtzPN |
|---|---|
| Name | (E)-2-cyano-3-(3-methyl-1-phenyl-5-(piperidin-1-yl)-1H-pyrazol-4-yl)-N-[4-(aminosulfonyl)phenyl]acrylamide |
| Appearance | Yellow powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H26N6O3S |
| InChI | InChI=1S/C25H26N6O3S/c1-18-23(16-19(17-26)24(32)28-20-10-12-22(13-11-20)35(27,33)34)25(30-14-6-3-7-15-30)31(29-18)21-8-4-2-5-9-21/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,28,32)(H2,27,33,34)/b19-16+ |
| InChIKey | AIBGPPORDANDEY-KNTRCKAVSA-N |
| Instrument Name | JEOL-JMS 600 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/jhet.2576 |
| Molecular Weight | 490.582 g/mol |
| SMILES | N(C(\C(C#N)=C\c1c(n[n](c1N1CCCCC1)-c1ccccc1)C)=O)c1ccc(S(N)(=O)=O)cc1 |
| SPLASH | splash10-05i3-9720000000-8c0b4880862fd1828618 |
| Source of Spectrum | Y-54-274-25 |
| Wiley ID | 1877802 |