CID 1930954

3-[(e)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-{[3-(4-morpholinyl)propyl]amino}-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C20H23N5O3S2
SMILES
CN1C(=O)/C(=C\C2=C(N=C3C=CC=CN3C2=O)NCCCN4CCOCC4)/SC1=S
InChI
InChI=1S/C20H23N5O3S2/c1-23-19(27)15(30-20(23)29)13-14-17(21-6-4-7-24-9-11-28-12-10-24)22-16-5-2-3-8-25(16)18(14)26/h2-3,5,8,13,21H,4,6-7,9-12H2,1H3/b15-13+
InChIKey
DKJCUMBAMYHYKP-FYWRMAATSA-N
Compound name
(5E)-3-methyl-5-[[2-(3-morpholin-4-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.12424 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.13152 203.0
[M+Na]+ 468.11346 210.8
[M-H]- 444.11696 208.0
[M+NH4]+ 463.15806 209.0
[M+K]+ 484.08740 203.3
[M+H-H2O]+ 428.12150 194.5
[M+HCOO]- 490.12244 206.9
[M+CH3COO]- 504.13809 209.7
[M+Na-2H]- 466.09891 199.4
[M]+ 445.12369 203.3
[M]- 445.12479 203.3
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.