CID 2139020
9-methyl-3-[(z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-phenoxy-4h-pyrido[1,2-a]pyrimidin-4-one
Structural Information
- Molecular Formula
- C22H19N3O3S2
- SMILES
- CCCN1C(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)OC4=CC=CC=C4)/SC1=S
- InChI
- InChI=1S/C22H19N3O3S2/c1-3-11-25-21(27)17(30-22(25)29)13-16-19(28-15-9-5-4-6-10-15)23-18-14(2)8-7-12-24(18)20(16)26/h4-10,12-13H,3,11H2,1-2H3/b17-13-
- InChIKey
- HHJOIGMYQVFLLH-LGMDPLHJSA-N
- Compound name
- (5Z)-5-[(9-methyl-4-oxo-2-phenoxypyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 438.09408 | 203.0 |
[M+Na]+ | 460.07602 | 214.2 |
[M-H]- | 436.07952 | 210.1 |
[M+NH4]+ | 455.12062 | 212.8 |
[M+K]+ | 476.04996 | 205.2 |
[M+H-H2O]+ | 420.08406 | 194.8 |
[M+HCOO]- | 482.08500 | 211.2 |
[M+CH3COO]- | 496.10065 | 211.8 |
[M+Na-2H]- | 458.06147 | 199.2 |
[M]+ | 437.08625 | 208.1 |
[M]- | 437.08735 | 208.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.