CID 16428014
611195-35-8
Structural Information
- Molecular Formula
- C27H20Cl2N2O4S2
- SMILES
- CC1=C(C(N2C(=O)/C(=C\C3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl)/SC2=N1)C5=CC=C(C=C5)SC)C(=O)OC
- InChI
- InChI=1S/C27H20Cl2N2O4S2/c1-14-23(26(33)34-2)24(15-4-8-18(36-3)9-5-15)31-25(32)22(37-27(31)30-14)13-17-7-11-21(35-17)19-12-16(28)6-10-20(19)29/h4-13,24H,1-3H3/b22-13+
- InChIKey
- QKBYMWMMTFYFRO-LPYMAVHISA-N
- Compound name
- methyl (2E)-2-[[5-(2,5-dichlorophenyl)furan-2-yl]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]+ | 571.03148 | 234.7 |
[M+Na]+ | 593.01342 | 249.3 |
[M-H]- | 569.01692 | 248.8 |
[M+NH4]+ | 588.05802 | 243.2 |
[M+K]+ | 608.98736 | 242.0 |
[M+H-H2O]+ | 553.02146 | 229.0 |
[M+HCOO]- | 615.02240 | 237.9 |
[M+CH3COO]- | 629.03805 | 244.0 |
[M+Na-2H]- | 590.99887 | 227.9 |
[M]+ | 570.02365 | 249.6 |
[M]- | 570.02475 | 249.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.