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]+ 491.156996 214.5
[M+Na]+ 513.138938 221.0
[M-H]- 489.142444 222.4
[M+NH4]+ 508.183543 220.7
[M+K]+ 529.112878 210.8
[M+H-H2O]+ 473.146980 204.8
[M+HCOO]- 535.147921 219.6
[M+CH3COO]- 549.163571 220.3
[M+Na-2H]- 511.124386 210.5
[M]+ 490.14917142 212.0
[M]- 490.15026858 212.0
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.