CID 1966947

3-{(z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-methoxyethyl)amino]-9-methyl-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C24H24N4O4S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CC4=CC=C(C=C4)OC)NCCOC
InChI
InChI=1S/C24H24N4O4S2/c1-15-5-4-11-27-21(15)26-20(25-10-12-31-2)18(22(27)29)13-19-23(30)28(24(33)34-19)14-16-6-8-17(32-3)9-7-16/h4-9,11,13,25H,10,12,14H2,1-3H3/b19-13-
InChIKey
ZPJWMZNHVBWURT-UYRXBGFRSA-N
Compound name
(5Z)-5-[[2-(2-methoxyethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

496.1239 Da
Monoisotopic Mass

3.1
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.

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No patent data available for this compound.