CID 5794158

3-[(z)-(3-sec-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-7-methyl-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C23H29N5O2S2
SMILES
CCC(C)N1C(=O)/C(=C/C2=C(N=C3C=CC(=CN3C2=O)C)N4CCN(CC4)CC)/SC1=S
InChI
InChI=1S/C23H29N5O2S2/c1-5-16(4)28-22(30)18(32-23(28)31)13-17-20(26-11-9-25(6-2)10-12-26)24-19-8-7-15(3)14-27(19)21(17)29/h7-8,13-14,16H,5-6,9-12H2,1-4H3/b18-13-
InChIKey
MBLIZSYWPRKVMV-AQTBWJFISA-N
Compound name
(5Z)-3-butan-2-yl-5-[[2-(4-ethylpiperazin-1-yl)-7-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

471.17627 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.18355 213.1
[M+Na]+ 494.16549 221.6
[M-H]- 470.16899 216.5
[M+NH4]+ 489.21009 218.8
[M+K]+ 510.13943 212.4
[M+H-H2O]+ 454.17353 204.6
[M+HCOO]- 516.17447 213.1
[M+CH3COO]- 530.19012 218.8
[M+Na-2H]- 492.15094 204.3
[M]+ 471.17572 214.0
[M]- 471.17682 214.0
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.