CID 1620670

3-[(z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-methoxyethyl)amino]-9-methyl-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C22H26N4O3S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)C4CCCCC4)NCCOC
InChI
InChI=1S/C22H26N4O3S2/c1-14-7-6-11-25-19(14)24-18(23-10-12-29-2)16(20(25)27)13-17-21(28)26(22(30)31-17)15-8-4-3-5-9-15/h6-7,11,13,15,23H,3-5,8-10,12H2,1-2H3/b17-13-
InChIKey
VZYUCMLCYPSNBA-LGMDPLHJSA-N
Compound name
(5Z)-3-cyclohexyl-5-[[2-(2-methoxyethylamino)-9-methyl-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

458.14462 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.15190 206.4
[M+Na]+ 481.13384 217.0
[M+NH4]+ 476.17844 212.2
[M+K]+ 497.10778 207.8
[M-H]- 457.13734 210.2
[M+Na-2H]- 479.11929 209.5
[M]+ 458.14407 209.6
[M]- 458.14517 209.6
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.