CID 1906138

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

Structural Information

Molecular Formula
C24H28N4O2S2
SMILES
CC1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C\4/C(=O)N(C(=S)S4)C5CCCCC5
InChI
InChI=1S/C24H28N4O2S2/c1-16-10-13-26(14-11-16)21-18(22(29)27-12-6-5-9-20(27)25-21)15-19-23(30)28(24(31)32-19)17-7-3-2-4-8-17/h5-6,9,12,15-17H,2-4,7-8,10-11,13-14H2,1H3/b19-15-
InChIKey
JOKRYEUUDUMLGN-CYVLTUHYSA-N
Compound name
(5Z)-3-cyclohexyl-5-[[2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.16537 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.17265 212.0
[M+Na]+ 491.15459 218.2
[M-H]- 467.15809 218.2
[M+NH4]+ 486.19919 218.2
[M+K]+ 507.12853 208.9
[M+H-H2O]+ 451.16263 202.5
[M+HCOO]- 513.16357 211.4
[M+CH3COO]- 527.17922 217.1
[M+Na-2H]- 489.14004 203.9
[M]+ 468.16482 206.5
[M]- 468.16592 206.5
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.