CID 71568997
1435467-38-1
Structural Information
- Molecular Formula
- C14H15N3O4S
- SMILES
- COC1=CC(=C(C=C1)OC)C2=CC(=O)NC(=S)N2CC(=O)N
- InChI
- InChI=1S/C14H15N3O4S/c1-20-8-3-4-11(21-2)9(5-8)10-6-13(19)16-14(22)17(10)7-12(15)18/h3-6H,7H2,1-2H3,(H2,15,18)(H,16,19,22)
- InChIKey
- LJBUZOGABRDGBR-UHFFFAOYSA-N
- Compound name
- 2-[6-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidenepyrimidin-1-yl]acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 322.08562 | 171.0 |
[M+Na]+ | 344.06756 | 180.7 |
[M-H]- | 320.07106 | 174.3 |
[M+NH4]+ | 339.11216 | 182.2 |
[M+K]+ | 360.04150 | 175.0 |
[M+H-H2O]+ | 304.07560 | 162.5 |
[M+HCOO]- | 366.07654 | 186.6 |
[M+CH3COO]- | 380.09219 | 206.3 |
[M+Na-2H]- | 342.05301 | 170.8 |
[M]+ | 321.07779 | 174.5 |
[M]- | 321.07889 | 174.5 |