CID 3675572
578746-77-7
Structural Information
- Molecular Formula
- C23H26N4O4S2
- SMILES
- CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=CC(=C3)NC(=O)C)OC)SC4=C2CCCC4
- InChI
- InChI=1S/C23H26N4O4S2/c1-4-27-22(30)20-15-7-5-6-8-18(15)33-21(20)26-23(27)32-12-19(29)25-16-11-14(24-13(2)28)9-10-17(16)31-3/h9-11H,4-8,12H2,1-3H3,(H,24,28)(H,25,29)
- InChIKey
- UPOKZDWMTSBKDA-UHFFFAOYSA-N
- Compound name
- N-(5-acetamido-2-methoxyphenyl)-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]+ | 487.14684 | 209.8 |
[M+Na]+ | 509.12878 | 216.6 |
[M-H]- | 485.13228 | 214.8 |
[M+NH4]+ | 504.17338 | 218.8 |
[M+K]+ | 525.10272 | 210.3 |
[M+H-H2O]+ | 469.13682 | 202.1 |
[M+HCOO]- | 531.13776 | 218.1 |
[M+CH3COO]- | 545.15341 | 240.9 |
[M+Na-2H]- | 507.11423 | 209.8 |
[M]+ | 486.13901 | 216.7 |
[M]- | 486.14011 | 216.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.