CID 1368480
5-(4-methoxybenzylidene)-3-phenyl-1,3-thiazolidine-2,4-dione
Structural Information
- Molecular Formula
- C17H13NO3S
- SMILES
- COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)C3=CC=CC=C3
- InChI
- InChI=1S/C17H13NO3S/c1-21-14-9-7-12(8-10-14)11-15-16(19)18(17(20)22-15)13-5-3-2-4-6-13/h2-11H,1H3/b15-11+
- InChIKey
- ORNQLVFUWGFJNC-RVDMUPIBSA-N
- Compound name
- (5E)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 312.06888 | 171.1 |
[M+Na]+ | 334.05082 | 180.5 |
[M-H]- | 310.05432 | 180.4 |
[M+NH4]+ | 329.09542 | 186.9 |
[M+K]+ | 350.02476 | 174.9 |
[M+H-H2O]+ | 294.05886 | 163.3 |
[M+HCOO]- | 356.05980 | 188.9 |
[M+CH3COO]- | 370.07545 | 201.5 |
[M+Na-2H]- | 332.03627 | 169.8 |
[M]+ | 311.06105 | 173.2 |
[M]- | 311.06215 | 173.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.