CID 1397782
N-[5-(3,4-dimethoxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-nicotinamide
Structural Information
- Molecular Formula
- C18H15N3O4S2
- SMILES
- COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CN=CC=C3)OC
- InChI
- InChI=1S/C18H15N3O4S2/c1-24-13-6-5-11(8-14(13)25-2)9-15-17(23)21(18(26)27-15)20-16(22)12-4-3-7-19-10-12/h3-10H,1-2H3,(H,20,22)/b15-9-
- InChIKey
- BICNMJGIQJPMGT-DHDCSXOGSA-N
- Compound name
- N-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 402.05766 | 191.5 |
[M+Na]+ | 424.03960 | 199.9 |
[M-H]- | 400.04310 | 198.9 |
[M+NH4]+ | 419.08420 | 202.1 |
[M+K]+ | 440.01354 | 193.0 |
[M+H-H2O]+ | 384.04764 | 183.5 |
[M+HCOO]- | 446.04858 | 202.5 |
[M+CH3COO]- | 460.06423 | 219.2 |
[M+Na-2H]- | 422.02505 | 188.2 |
[M]+ | 401.04983 | 195.1 |
[M]- | 401.05093 | 195.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.