![2-((5-Cyano-4-oxo-1,3-diazaspiro[5.5]undec-1-en-2-yl)thio)-3-oxo-N-phenylbutanamide](/api/spectrum/7kSAl0n3CFv/structure.png?h=300&w=458 "2-((5-Cyano-4-oxo-1,3-diazaspiro[5.5]undec-1-en-2-yl)thio)-3-oxo-N-phenylbutanamide")
| SpectraBase Compound ID | 5mVOBbbeQ3L |
|---|---|
| InChI | InChI=1S/C20H22N4O3S/c1-13(25)16(18(27)22-14-8-4-2-5-9-14)28-19-23-17(26)15(12-21)20(24-19)10-6-3-7-11-20/h2,4-5,8-9,15-16H,3,6-7,10-11H2,1H3,(H,22,27)(H,23,24,26) |
| InChIKey | RJFLBVOJOPDYIH-UHFFFAOYSA-N |
| Mol Weight | 398.48 g/mol |
| Molecular Formula | C20H22N4O3S |
| Exact Mass | 398.141262 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7kSAl0n3CFv |
|---|---|
| Name | 2-((5-Cyano-4-oxo-1,3-diazaspiro[5.5]undec-1-en-2-yl)thio)-3-oxo-N-phenylbutanamide |
| Appearance | White crystals |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H22N4O3S |
| InChI | InChI=1S/C20H22N4O3S/c1-13(25)16(18(27)22-14-8-4-2-5-9-14)28-19-23-17(26)15(12-21)20(24-19)10-6-3-7-11-20/h2,4-5,8-9,15-16H,3,6-7,10-11H2,1H3,(H,22,27)(H,23,24,26) |
| InChIKey | RJFLBVOJOPDYIH-UHFFFAOYSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/cbdv.202200632 |
| Molecular Weight | 398.481 g/mol |
| SMILES | N1C(SC(C(=O)Nc2ccccc2)C(C)=O)=NC2(CCCCC2)C(C#N)C1=O |
| SPLASH | splash10-024i-4900000000-b0a547cb043f81f1999d |
| Source of Spectrum | CBD-19-SM14-10 |
| Wiley ID | 1880591 |