CID 5917586

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

Structural Information

Molecular Formula
C23H28N4O3S2
SMILES
CC1CC(CN(C1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C\4/C(=O)N(C(=S)S4)CCOC)C
InChI
InChI=1S/C23H28N4O3S2/c1-14-10-15(2)13-25(12-14)20-17(21(28)26-7-5-6-16(3)19(26)24-20)11-18-22(29)27(8-9-30-4)23(31)32-18/h5-7,11,14-15H,8-10,12-13H2,1-4H3/b18-11-
InChIKey
VBCSQZXFUHKFEY-WQRHYEAKSA-N
Compound name
(5Z)-5-[[2-(3,5-dimethylpiperidin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.16028 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.16756 213.3
[M+Na]+ 495.14950 222.4
[M-H]- 471.15300 218.1
[M+NH4]+ 490.19410 220.5
[M+K]+ 511.12344 213.6
[M+H-H2O]+ 455.15754 205.1
[M+HCOO]- 517.15848 215.6
[M+CH3COO]- 531.17413 219.9
[M+Na-2H]- 493.13495 205.1
[M]+ 472.15973 216.0
[M]- 472.16083 216.0
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.