CID 6448369

3-((4-phenyl-1-piperazinyl)methyl)-5-(3-phenyl-2-propenylidene)-2-thioxo-4-thiazolidinone

Structural Information

Molecular Formula
C23H23N3OS2
SMILES
C1CN(CCN1CN2C(=O)/C(=C\C=C\C3=CC=CC=C3)/SC2=S)C4=CC=CC=C4
InChI
InChI=1S/C23H23N3OS2/c27-22-21(13-7-10-19-8-3-1-4-9-19)29-23(28)26(22)18-24-14-16-25(17-15-24)20-11-5-2-6-12-20/h1-13H,14-18H2/b10-7+,21-13+
InChIKey
WUYGXHJGRROMTN-FPQBULDBSA-N
Compound name
(5E)-3-[(4-phenylpiperazin-1-yl)methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.12827 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.13555 200.7
[M+Na]+ 444.11749 207.2
[M-H]- 420.12099 207.9
[M+NH4]+ 439.16209 209.2
[M+K]+ 460.09143 197.3
[M+H-H2O]+ 404.12553 191.1
[M+HCOO]- 466.12647 206.0
[M+CH3COO]- 480.14212 207.6
[M+Na-2H]- 442.10294 194.2
[M]+ 421.12772 196.6
[M]- 421.12882 196.6
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.