CID 5773760

3-[(z)-(3-allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-benzyl-1-piperazinyl)-9-methyl-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C27H27N5O2S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CC=C)N4CCN(CC4)CC5=CC=CC=C5
InChI
InChI=1S/C27H27N5O2S2/c1-3-11-32-26(34)22(36-27(32)35)17-21-24(28-23-19(2)8-7-12-31(23)25(21)33)30-15-13-29(14-16-30)18-20-9-5-4-6-10-20/h3-10,12,17H,1,11,13-16,18H2,2H3/b22-17-
InChIKey
UADDGFHHCZETQQ-XLNRJJMWSA-N
Compound name
(5Z)-5-[[2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.16064 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.16792 222.2
[M+Na]+ 540.14986 236.5
[M+NH4]+ 535.19446 227.5
[M+K]+ 556.12380 225.5
[M-H]- 516.15336 227.2
[M+Na-2H]- 538.13531 227.3
[M]+ 517.16009 226.4
[M]- 517.16119 226.4
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.