CID 1298256

3-((z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)-2-(ethylamino)-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C24H24N4O4S2
SMILES
CCNC1=C(C(=O)N2C=CC=CC2=N1)/C=C\3/C(=O)N(C(=S)S3)CCC4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C24H24N4O4S2/c1-4-25-21-16(22(29)27-11-6-5-7-20(27)26-21)14-19-23(30)28(24(33)34-19)12-10-15-8-9-17(31-2)18(13-15)32-3/h5-9,11,13-14,25H,4,10,12H2,1-3H3/b19-14-
InChIKey
ZQEYCSIIOIFCQG-RGEXLXHISA-N
Compound name
(5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[2-(ethylamino)-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

496.1239 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.13118 218.0
[M+Na]+ 519.11312 230.7
[M+NH4]+ 514.15772 223.0
[M+K]+ 535.08706 221.0
[M-H]- 495.11662 222.0
[M+Na-2H]- 517.09857 222.3
[M]+ 496.12335 221.7
[M]- 496.12445 221.7
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.