CID 16428005
612079-03-5
Structural Information
- Molecular Formula
- C25H22N2O5S2
- SMILES
- CC1=C(C(N2C(=O)/C(=C\C3=CC=C(C=C3)OC(=O)C)/SC2=N1)C4=CC=C(C=C4)SC)C(=O)OC
- InChI
- InChI=1S/C25H22N2O5S2/c1-14-21(24(30)31-3)22(17-7-11-19(33-4)12-8-17)27-23(29)20(34-25(27)26-14)13-16-5-9-18(10-6-16)32-15(2)28/h5-13,22H,1-4H3/b20-13+
- InChIKey
- PBTYAOWQVOBRBL-DEDYPNTBSA-N
- Compound name
- methyl (2E)-2-[(4-acetyloxyphenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 495.10430 | 216.6 |
[M+Na]+ | 517.08624 | 226.5 |
[M-H]- | 493.08974 | 225.3 |
[M+NH4]+ | 512.13084 | 224.9 |
[M+K]+ | 533.06018 | 219.6 |
[M+H-H2O]+ | 477.09428 | 208.4 |
[M+HCOO]- | 539.09522 | 225.8 |
[M+CH3COO]- | 553.11087 | 236.4 |
[M+Na-2H]- | 515.07169 | 212.4 |
[M]+ | 494.09647 | 226.2 |
[M]- | 494.09757 | 226.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.