CID 5919876

2-(4-benzyl-1-piperazinyl)-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
C27H29N5O3S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CCOC)N4CCN(CC4)CC5=CC=CC=C5
InChI
InChI=1S/C27H29N5O3S2/c1-19-7-6-10-31-23(19)28-24(30-13-11-29(12-14-30)18-20-8-4-3-5-9-20)21(25(31)33)17-22-26(34)32(15-16-35-2)27(36)37-22/h3-10,17H,11-16,18H2,1-2H3/b22-17-
InChIKey
YKZJDPFJELVWJD-XLNRJJMWSA-N
Compound name
(5Z)-5-[[2-(4-benzylpiperazin-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

535.1712 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.17848 225.7
[M+Na]+ 558.16042 239.5
[M+NH4]+ 553.20502 230.7
[M+K]+ 574.13436 229.2
[M-H]- 534.16392 230.6
[M+Na-2H]- 556.14587 230.6
[M]+ 535.17065 229.8
[M]- 535.17175 229.8
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.