CID 1567966

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

Structural Information

Molecular Formula
C23H22N4O2S2
SMILES
CC(C)CN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)NCC4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C23H22N4O2S2/c1-15(2)14-27-22(29)18(31-23(27)30)12-17-20(24-13-16-8-4-3-5-9-16)25-19-10-6-7-11-26(19)21(17)28/h3-12,15,24H,13-14H2,1-2H3/b18-12-
InChIKey
DQWDKXXBFZVEAG-PDGQHHTCSA-N
Compound name
(5Z)-5-[[2-(benzylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.1184 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.12568 203.9
[M+Na]+ 473.10762 216.8
[M+NH4]+ 468.15222 210.2
[M+K]+ 489.08156 206.9
[M-H]- 449.11112 208.6
[M+Na-2H]- 471.09307 209.6
[M]+ 450.11785 207.9
[M]- 450.11895 207.9
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.