CID 6007275

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

Structural Information

Molecular Formula
C30H27N5O2S2
SMILES
C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)N4C=CC=CC4=N3)/C=C\5/C(=O)N(C(=S)S5)CC6=CC=CC=C6
InChI
InChI=1S/C30H27N5O2S2/c36-28-24(19-25-29(37)35(30(38)39-25)21-23-11-5-2-6-12-23)27(31-26-13-7-8-14-34(26)28)33-17-15-32(16-18-33)20-22-9-3-1-4-10-22/h1-14,19H,15-18,20-21H2/b25-19-
InChIKey
XHYQFYDCOOZGMJ-PLRJNAJWSA-N
Compound name
(5Z)-3-benzyl-5-[[2-(4-benzylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

553.16064 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.16792 224.7
[M+Na]+ 576.14986 240.9
[M+NH4]+ 571.19446 230.9
[M+K]+ 592.12380 229.1
[M-H]- 552.15336 232.5
[M+Na-2H]- 574.13531 233.6
[M]+ 553.16009 230.2
[M]- 553.16119 230.2
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.