CID 3302841

3-benzyl-5-((4-chloroanilino)methylene)-1,3-thiazolidine-2,4-dione

Structural Information

Molecular Formula
C17H13ClN2O2S
SMILES
C1=CC=C(C=C1)CN2C(=C(SC2=O)C=NC3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C17H13ClN2O2S/c18-13-6-8-14(9-7-13)19-10-15-16(21)20(17(22)23-15)11-12-4-2-1-3-5-12/h1-10,21H,11H2
InChIKey
GOPWWZSHVQEFSD-UHFFFAOYSA-N
Compound name
3-benzyl-5-[(4-chlorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.03864 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.04592 178.0
[M+Na]+ 367.02786 193.7
[M+NH4]+ 362.07246 186.6
[M+K]+ 383.00180 184.2
[M-H]- 343.03136 184.3
[M+Na-2H]- 365.01331 187.6
[M]+ 344.03809 182.8
[M]- 344.03919 182.8
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.