CID 16429146
617696-93-2
Structural Information
- Molecular Formula
- C28H24N2O5S2
- SMILES
- CC1=C(C(N2C(=O)/C(=C\C3=C(C(=CC=C3)OC)OC)/SC2=N1)C4=CC=CS4)C(=O)OCC5=CC=CC=C5
- InChI
- InChI=1S/C28H24N2O5S2/c1-17-23(27(32)35-16-18-9-5-4-6-10-18)24(21-13-8-14-36-21)30-26(31)22(37-28(30)29-17)15-19-11-7-12-20(33-2)25(19)34-3/h4-15,24H,16H2,1-3H3/b22-15+
- InChIKey
- BGIUXRQFCNLYBG-PXLXIMEGSA-N
- Compound name
- benzyl (2E)-2-[(2,3-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-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]+ | 533.11998 | 228.9 |
[M+Na]+ | 555.10192 | 240.2 |
[M-H]- | 531.10542 | 241.9 |
[M+NH4]+ | 550.14652 | 237.7 |
[M+K]+ | 571.07586 | 233.3 |
[M+H-H2O]+ | 515.10996 | 221.2 |
[M+HCOO]- | 577.11090 | 242.0 |
[M+CH3COO]- | 591.12655 | 237.9 |
[M+Na-2H]- | 553.08737 | 224.1 |
[M]+ | 532.11215 | 240.6 |
[M]- | 532.11325 | 240.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.