CID 1567259

(5z)-3-(3-chlorophenyl)-5-[4-(propan-2-yl)benzylidene]-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C19H16ClNOS2
SMILES
CC(C)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H16ClNOS2/c1-12(2)14-8-6-13(7-9-14)10-17-18(22)21(19(23)24-17)16-5-3-4-15(20)11-16/h3-12H,1-2H3/b17-10-
InChIKey
VWGBKEFAXKFNOA-YVLHZVERSA-N
Compound name
(5Z)-3-(3-chlorophenyl)-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.0362 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.04348 184.9
[M+Na]+ 396.02542 195.0
[M-H]- 372.02892 193.8
[M+NH4]+ 391.07002 199.8
[M+K]+ 411.99936 186.0
[M+H-H2O]+ 356.03346 178.7
[M+HCOO]- 418.03440 190.6
[M+CH3COO]- 432.05005 195.3
[M+Na-2H]- 394.01087 178.9
[M]+ 373.03565 187.9
[M]- 373.03675 187.9
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.