CID 1980226
578001-69-1
Structural Information
- Molecular Formula
- C20H19ClFN3O2S2
- SMILES
- CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=C(C=C3)F)Cl)SC4=C2CCCC4
- InChI
- InChI=1S/C20H19ClFN3O2S2/c1-2-25-19(27)17-12-5-3-4-6-15(12)29-18(17)24-20(25)28-10-16(26)23-11-7-8-14(22)13(21)9-11/h7-9H,2-6,10H2,1H3,(H,23,26)
- InChIKey
- HMQGKZFCRPYXDD-UHFFFAOYSA-N
- Compound name
- N-(3-chloro-4-fluorophenyl)-2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 452.06638 | 197.6 |
[M+Na]+ | 474.04832 | 208.5 |
[M-H]- | 450.05182 | 202.2 |
[M+NH4]+ | 469.09292 | 209.9 |
[M+K]+ | 490.02226 | 199.9 |
[M+H-H2O]+ | 434.05636 | 190.5 |
[M+HCOO]- | 496.05730 | 201.3 |
[M+CH3COO]- | 510.07295 | 206.4 |
[M+Na-2H]- | 472.03377 | 196.7 |
[M]+ | 451.05855 | 204.2 |
[M]- | 451.05965 | 204.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.