CID 1349109
Chembl179045
Structural Information
- Molecular Formula
- C19H13ClN2O4S2
- SMILES
- C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)NC3=CC=CC(=C3)C(=O)O)Cl
- InChI
- InChI=1S/C19H13ClN2O4S2/c20-14-7-2-1-4-11(14)9-15-17(24)22(19(27)28-15)10-16(23)21-13-6-3-5-12(8-13)18(25)26/h1-9H,10H2,(H,21,23)(H,25,26)/b15-9-
- InChIKey
- OFZQHXJUMSLIOY-DHDCSXOGSA-N
- Compound name
- 3-[[2-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 433.00780 | 197.1 |
[M+Na]+ | 454.98974 | 204.8 |
[M-H]- | 430.99324 | 204.4 |
[M+NH4]+ | 450.03434 | 207.8 |
[M+K]+ | 470.96368 | 196.1 |
[M+H-H2O]+ | 414.99778 | 191.0 |
[M+HCOO]- | 476.99872 | 202.1 |
[M+CH3COO]- | 491.01437 | 220.9 |
[M+Na-2H]- | 452.97519 | 192.1 |
[M]+ | 431.99997 | 199.8 |
[M]- | 432.00107 | 199.8 |
Literature stripe
Patent stripe
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