| SpectraBase Compound ID | 6a8vL7KXQPy |
|---|---|
| InChI | InChI=1S/C21H26N4O4S/c1-3-29-21(28)17-14(2)18(19(27)23-15-9-5-6-10-22-15)30-20(17)24-16(26)13-25-11-7-4-8-12-25/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3,(H,24,26)(H,22,23,27) |
| InChIKey | BFSKNWRVNNXTGU-UHFFFAOYSA-N |
| Mol Weight | 430.52 g/mol |
| Molecular Formula | C21H26N4O4S |
| Exact Mass | 430.167477 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 81San6V1Wcy |
|---|---|
| Name | Ethyl 4-methyl-2-(2-(piperidin-1-yl)acetamido)-5-(pyridin-2-ylcarbamoyl)thiophene-3-carboxylate |
| Appearance | Yellow powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H26N4O4S |
| InChI | InChI=1S/C21H26N4O4S/c1-3-29-21(28)17-14(2)18(19(27)23-15-9-5-6-10-22-15)30-20(17)24-16(26)13-25-11-7-4-8-12-25/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3,(H,24,26)(H,22,23,27) |
| InChIKey | BFSKNWRVNNXTGU-UHFFFAOYSA-N |
| Instrument Name | Kratos MS |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/jhet.4002 |
| Molecular Weight | 430.523 g/mol |
| SMILES | N(C(c1c(c(c(s1)NC(CN1CCCCC1)=O)C(OCC)=O)C)=O)c1ncccc1 |
| SPLASH | splash10-000i-0900000000-c4a8577c2de25454bf17 |
| Source of Spectrum | Y-57-2933-8 |
| Wiley ID | 1860288 |