CID 1593619

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

Structural Information

Molecular Formula
C20H22N4O2S2
SMILES
CCCN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)N4CCCCC4)/SC1=S
InChI
InChI=1S/C20H22N4O2S2/c1-2-9-24-19(26)15(28-20(24)27)13-14-17(22-10-5-3-6-11-22)21-16-8-4-7-12-23(16)18(14)25/h4,7-8,12-13H,2-3,5-6,9-11H2,1H3/b15-13-
InChIKey
BYKIECIJVHGNKV-SQFISAMPSA-N
Compound name
(5Z)-5-[(4-oxo-2-piperidin-1-ylpyrido[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

414.1184 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.12568 197.4
[M+Na]+ 437.10762 206.2
[M-H]- 413.11112 201.9
[M+NH4]+ 432.15222 206.5
[M+K]+ 453.08156 197.4
[M+H-H2O]+ 397.11566 189.0
[M+HCOO]- 459.11660 200.8
[M+CH3COO]- 473.13225 204.7
[M+Na-2H]- 435.09307 191.9
[M]+ 414.11785 196.6
[M]- 414.11895 196.6
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.