CID 6033405

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

Structural Information

Molecular Formula
C31H29N5O2S2
SMILES
C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)N4C=CC=CC4=N3)/C=C\5/C(=O)N(C(=S)S5)CCC6=CC=CC=C6
InChI
InChI=1S/C31H29N5O2S2/c37-29-25(21-26-30(38)36(31(39)40-26)16-14-23-9-3-1-4-10-23)28(32-27-13-7-8-15-35(27)29)34-19-17-33(18-20-34)22-24-11-5-2-6-12-24/h1-13,15,21H,14,16-20,22H2/b26-21-
InChIKey
NGVUCESTWAJUNX-QLYXXIJNSA-N
Compound name
(5Z)-5-[[2-(4-benzylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

567.1763 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.18358 234.8
[M+Na]+ 590.16552 242.1
[M-H]- 566.16902 243.0
[M+NH4]+ 585.21012 235.1
[M+K]+ 606.13946 230.2
[M+H-H2O]+ 550.17356 222.9
[M+HCOO]- 612.17450 236.2
[M+CH3COO]- 626.19015 238.6
[M+Na-2H]- 588.15097 228.5
[M]+ 567.17575 232.6
[M]- 567.17685 232.6
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.