CID 5917587

3-[(z)-(3-allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(3,5-dimethyl-1-piperidinyl)-9-methyl-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C23H26N4O2S2
SMILES
CC1CC(CN(C1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C\4/C(=O)N(C(=S)S4)CC=C)C
InChI
InChI=1S/C23H26N4O2S2/c1-5-8-27-22(29)18(31-23(27)30)11-17-20(25-12-14(2)10-15(3)13-25)24-19-16(4)7-6-9-26(19)21(17)28/h5-7,9,11,14-15H,1,8,10,12-13H2,2-4H3/b18-11-
InChIKey
XQMGFSJEASRBES-WQRHYEAKSA-N
Compound name
(5Z)-5-[[2-(3,5-dimethylpiperidin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.14972 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.15700 210.0
[M+Na]+ 477.13894 219.9
[M-H]- 453.14244 214.9
[M+NH4]+ 472.18354 218.0
[M+K]+ 493.11288 209.8
[M+H-H2O]+ 437.14698 201.9
[M+HCOO]- 499.14792 212.3
[M+CH3COO]- 513.16357 216.9
[M+Na-2H]- 475.12439 201.3
[M]+ 454.14917 210.7
[M]- 454.15027 210.7
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.