CID 5646034

2-(cyclohexylamino)-3-[(z)-(3-cyclopentyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C23H26N4O2S2
SMILES
C1CCC(CC1)NC2=C(C(=O)N3C=CC=CC3=N2)/C=C\4/C(=O)N(C(=S)S4)C5CCCC5
InChI
InChI=1S/C23H26N4O2S2/c28-21-17(14-18-22(29)27(23(30)31-18)16-10-4-5-11-16)20(24-15-8-2-1-3-9-15)25-19-12-6-7-13-26(19)21/h6-7,12-16,24H,1-5,8-11H2/b18-14-
InChIKey
PIPMZEFVAVJBOP-JXAWBTAJSA-N
Compound name
(5Z)-5-[[2-(cyclohexylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-cyclopentyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.14972 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.15700 202.3
[M+Na]+ 477.13894 212.2
[M+NH4]+ 472.18354 209.4
[M+K]+ 493.11288 204.6
[M-H]- 453.14244 208.1
[M+Na-2H]- 475.12439 206.7
[M]+ 454.14917 205.9
[M]- 454.15027 205.9
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.