CID 6085604

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

Structural Information

Molecular Formula
C31H29N5O2S2
SMILES
CC(C1=CC=CC=C1)N2C(=O)/C(=C/C3=C(N=C4C=CC=CN4C3=O)N5CCN(CC5)CC6=CC=CC=C6)/SC2=S
InChI
InChI=1S/C31H29N5O2S2/c1-22(24-12-6-3-7-13-24)36-30(38)26(40-31(36)39)20-25-28(32-27-14-8-9-15-35(27)29(25)37)34-18-16-33(17-19-34)21-23-10-4-2-5-11-23/h2-15,20,22H,16-19,21H2,1H3/b26-20-
InChIKey
IOMZKWXIPQNREB-QOMWVZHYSA-N
Compound name
(5Z)-5-[[2-(4-benzylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

567.1763 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.18358 226.7
[M+Na]+ 590.16552 242.3
[M+NH4]+ 585.21012 232.6
[M+K]+ 606.13946 231.3
[M-H]- 566.16902 234.4
[M+Na-2H]- 588.15097 235.4
[M]+ 567.17575 232.0
[M]- 567.17685 232.0
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.