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 181.9
[M+Na]+ 375.05962 189.9
[M-H]- 351.06312 189.8
[M+NH4]+ 370.10422 196.0
[M+K]+ 391.03356 180.6
[M+H-H2O]+ 335.06766 174.2
[M+HCOO]- 397.06860 194.5
[M+CH3COO]- 411.08425 191.7
[M+Na-2H]- 373.04507 179.4
[M]+ 352.06985 181.2
[M]- 352.07095 181.2
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.