CID 485167
5-[(2-oxo-2-phenylethyl)sulfanyl]-3,6-diphenyl-2-sulfanylidene-2h,3h,6h,7h-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Structural Information
- Molecular Formula
- C25H17N3O2S3
- SMILES
- C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)SC(=S)N3C5=CC=CC=C5
- InChI
- InChI=1S/C25H17N3O2S3/c29-20(17-10-4-1-5-11-17)16-32-24-26-22-21(23(30)28(24)19-14-8-3-9-15-19)33-25(31)27(22)18-12-6-2-7-13-18/h1-15H,16H2
- InChIKey
- LFRILQNVJGPDLD-UHFFFAOYSA-N
- Compound name
- 5-phenacylsulfanyl-3,6-diphenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 488.05556 | 210.6 |
[M+Na]+ | 510.03750 | 223.4 |
[M-H]- | 486.04100 | 220.2 |
[M+NH4]+ | 505.08210 | 217.9 |
[M+K]+ | 526.01144 | 211.9 |
[M+H-H2O]+ | 470.04554 | 202.8 |
[M+HCOO]- | 532.04648 | 217.1 |
[M+CH3COO]- | 546.06213 | 218.9 |
[M+Na-2H]- | 508.02295 | 210.7 |
[M]+ | 487.04773 | 215.4 |
[M]- | 487.04883 | 215.4 |
Literature stripe
Patent stripe
No patent data available for this compound.