CID 5917612

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

Structural Information

Molecular Formula
C23H28N4O2S2
SMILES
CCCN1C(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)N4CC(CC(C4)C)C)/SC1=S
InChI
InChI=1S/C23H28N4O2S2/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/h6-7,9,11,14-15H,5,8,10,12-13H2,1-4H3/b18-11-
InChIKey
AUSRMEGOSQLIGK-WQRHYEAKSA-N
Compound name
(5Z)-5-[[2-(3,5-dimethylpiperidin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.16537 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.17265 210.4
[M+Na]+ 479.15459 219.9
[M-H]- 455.15809 215.2
[M+NH4]+ 474.19919 218.3
[M+K]+ 495.12853 210.4
[M+H-H2O]+ 439.16263 202.2
[M+HCOO]- 501.16357 212.4
[M+CH3COO]- 515.17922 217.2
[M+Na-2H]- 477.14004 201.7
[M]+ 456.16482 211.7
[M]- 456.16592 211.7
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.