CID 6448370

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

Structural Information

Molecular Formula
C24H25N3OS2
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)CN3C(=O)/C(=C\C=C\C4=CC=CC=C4)/SC3=S
InChI
InChI=1S/C24H25N3OS2/c1-19-10-12-21(13-11-19)26-16-14-25(15-17-26)18-27-23(28)22(30-24(27)29)9-5-8-20-6-3-2-4-7-20/h2-13H,14-18H2,1H3/b8-5+,22-9+
InChIKey
WOWYCCYHCFEKSE-RCSBLCLSSA-N
Compound name
(5E)-3-[[4-(4-methylphenyl)piperazin-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

435.1439 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.15118 204.9
[M+Na]+ 458.13312 211.8
[M-H]- 434.13662 212.4
[M+NH4]+ 453.17772 213.1
[M+K]+ 474.10706 201.6
[M+H-H2O]+ 418.14116 195.4
[M+HCOO]- 480.14210 209.9
[M+CH3COO]- 494.15775 211.7
[M+Na-2H]- 456.11857 197.4
[M]+ 435.14335 201.6
[M]- 435.14445 201.6
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.