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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.0868 Da
Monoisotopic Mass

4.2
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.