CID 6382183

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

Structural Information

Molecular Formula
C19H16N2OS2
SMILES
C1=CC=C(C=C1)/C=C/C=C/2\C(=O)N(C(=S)S2)CNC3=CC=CC=C3
InChI
InChI=1S/C19H16N2OS2/c22-18-17(13-7-10-15-8-3-1-4-9-15)24-19(23)21(18)14-20-16-11-5-2-6-12-16/h1-13,20H,14H2/b10-7+,17-13+
InChIKey
SIZXCNAEXIUHBK-UVZCHINQSA-N
Compound name
(5E)-3-(anilinomethyl)-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

352.0704 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.07768 180.5
[M+Na]+ 375.05962 192.6
[M+NH4]+ 370.10422 188.6
[M+K]+ 391.03356 181.5
[M-H]- 351.06312 186.2
[M+Na-2H]- 373.04507 187.7
[M]+ 352.06985 184.7
[M]- 352.07095 184.7
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.