CID 16428010
611194-34-4
Structural Information
- Molecular Formula
- C27H21ClN2O4S2
- SMILES
- CC1=C(C(N2C(=O)/C(=C\C3=CC=C(O3)C4=CC=CC=C4Cl)/SC2=N1)C5=CC=C(C=C5)SC)C(=O)OC
- InChI
- InChI=1S/C27H21ClN2O4S2/c1-15-23(26(32)33-2)24(16-8-11-18(35-3)12-9-16)30-25(31)22(36-27(30)29-15)14-17-10-13-21(34-17)19-6-4-5-7-20(19)28/h4-14,24H,1-3H3/b22-14+
- InChIKey
- NSZWUBZQYHCSBQ-HYARGMPZSA-N
- Compound name
- methyl (2E)-2-[[5-(2-chlorophenyl)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]+ | 537.07038 | 229.2 |
[M+Na]+ | 559.05232 | 243.2 |
[M-H]- | 535.05582 | 243.6 |
[M+NH4]+ | 554.09692 | 238.2 |
[M+K]+ | 575.02626 | 236.0 |
[M+H-H2O]+ | 519.06036 | 222.9 |
[M+HCOO]- | 581.06130 | 237.4 |
[M+CH3COO]- | 595.07695 | 239.0 |
[M+Na-2H]- | 557.03777 | 223.5 |
[M]+ | 536.06255 | 242.6 |
[M]- | 536.06365 | 242.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.