CID 6117047

3-[(z)-(3-sec-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-morpholinyl)-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C21H24N4O3S2
SMILES
CCC(C)N1C(=O)/C(=C/C2=C(N=C3C=CC(=CN3C2=O)C)N4CCOCC4)/SC1=S
InChI
InChI=1S/C21H24N4O3S2/c1-4-14(3)25-20(27)16(30-21(25)29)11-15-18(23-7-9-28-10-8-23)22-17-6-5-13(2)12-24(17)19(15)26/h5-6,11-12,14H,4,7-10H2,1-3H3/b16-11-
InChIKey
NKLSNGIPCJHQKA-WJDWOHSUSA-N
Compound name
(5Z)-3-butan-2-yl-5-[(7-methyl-2-morpholin-4-yl-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

444.129 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.13628 204.0
[M+Na]+ 467.11822 216.0
[M+NH4]+ 462.16282 209.5
[M+K]+ 483.09216 207.9
[M-H]- 443.12172 208.0
[M+Na-2H]- 465.10367 206.0
[M]+ 444.12845 207.6
[M]- 444.12955 207.6
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.