CID 5751075
(5e)-5-[4-(benzyloxy)benzylidene]-1,3-thiazolidine-2,4-dione
Structural Information
- Molecular Formula
- C17H13NO3S
- SMILES
- C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C/3\C(=O)NC(=O)S3
- InChI
- InChI=1S/C17H13NO3S/c19-16-15(22-17(20)18-16)10-12-6-8-14(9-7-12)21-11-13-4-2-1-3-5-13/h1-10H,11H2,(H,18,19,20)/b15-10+
- InChIKey
- NITHMFXIRVGRJD-XNTDXEJSSA-N
- Compound name
- (5E)-5-[(4-phenylmethoxyphenyl)methylidene]-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 | 171.3 |
[M+Na]+ | 334.05082 | 179.3 |
[M-H]- | 310.05432 | 178.7 |
[M+NH4]+ | 329.09542 | 186.0 |
[M+K]+ | 350.02476 | 172.9 |
[M+H-H2O]+ | 294.05886 | 163.5 |
[M+HCOO]- | 356.05980 | 187.6 |
[M+CH3COO]- | 370.07545 | 182.2 |
[M+Na-2H]- | 332.03627 | 170.3 |
[M]+ | 311.06105 | 171.2 |
[M]- | 311.06215 | 171.2 |