CID 16428514
290839-64-4
Structural Information
- Molecular Formula
- C25H22ClN3O2S
- SMILES
- CC1=CC(=CC=C1)CC2C(=O)N(/C(=N\N=C\C3=CC=C(O3)C4=CC=C(C=C4)Cl)/S2)CC=C
- InChI
- InChI=1S/C25H22ClN3O2S/c1-3-13-29-24(30)23(15-18-6-4-5-17(2)14-18)32-25(29)28-27-16-21-11-12-22(31-21)19-7-9-20(26)10-8-19/h3-12,14,16,23H,1,13,15H2,2H3/b27-16+,28-25+
- InChIKey
- IKTNOVZCHNNHBN-REUZPSCBSA-N
- Compound name
- (2E)-2-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 464.11940 | 219.1 |
[M+Na]+ | 486.10134 | 228.4 |
[M-H]- | 462.10484 | 234.5 |
[M+NH4]+ | 481.14594 | 230.9 |
[M+K]+ | 502.07528 | 221.0 |
[M+H-H2O]+ | 446.10938 | 210.2 |
[M+HCOO]- | 508.11032 | 235.6 |
[M+CH3COO]- | 522.12597 | 229.1 |
[M+Na-2H]- | 484.08679 | 213.6 |
[M]+ | 463.11157 | 225.9 |
[M]- | 463.11267 | 225.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.