CID 2183209

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

Structural Information

Molecular Formula
C26H26N4O2S2
SMILES
C1CCC(CC1)NC2=C(C(=O)N3C=CC=CC3=N2)/C=C\4/C(=O)N(C(=S)S4)CCC5=CC=CC=C5
InChI
InChI=1S/C26H26N4O2S2/c31-24-20(17-21-25(32)30(26(33)34-21)16-14-18-9-3-1-4-10-18)23(27-19-11-5-2-6-12-19)28-22-13-7-8-15-29(22)24/h1,3-4,7-10,13,15,17,19,27H,2,5-6,11-12,14,16H2/b21-17-
InChIKey
AVNNAKNRCXMHTK-FXBPSFAMSA-N
Compound name
(5Z)-5-[[2-(cyclohexylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.14972 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.15700 210.5
[M+Na]+ 513.13894 223.5
[M+NH4]+ 508.18354 217.4
[M+K]+ 529.11288 212.5
[M-H]- 489.14244 217.4
[M+Na-2H]- 511.12439 217.6
[M]+ 490.14917 215.1
[M]- 490.15027 215.1
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.