CID 1586291

3-[(z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-9-methyl-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C23H29N5O2S2
SMILES
CCCCN1C(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)N4CCN(CC4)CC)/SC1=S
InChI
InChI=1S/C23H29N5O2S2/c1-4-6-9-28-22(30)18(32-23(28)31)15-17-20(26-13-11-25(5-2)12-14-26)24-19-16(3)8-7-10-27(19)21(17)29/h7-8,10,15H,4-6,9,11-14H2,1-3H3/b18-15-
InChIKey
MFFALAJNMVCWTJ-SDXDJHTJSA-N
Compound name
(5Z)-3-butyl-5-[[2-(4-ethylpiperazin-1-yl)-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

471.17627 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.183546 214.0
[M+Na]+ 494.165488 222.9
[M-H]- 470.168994 217.2
[M+NH4]+ 489.210093 219.8
[M+K]+ 510.139428 213.1
[M+H-H2O]+ 454.173530 205.1
[M+HCOO]- 516.174471 215.0
[M+CH3COO]- 530.190121 219.8
[M+Na-2H]- 492.150936 205.8
[M]+ 471.17572142 215.3
[M]- 471.17681858 215.3
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.