CID 2166814

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

Structural Information

Molecular Formula
C17H13NO3S
SMILES
C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=CC=C3O)/SC2=O
InChI
InChI=1S/C17H13NO3S/c19-14-9-5-4-8-13(14)10-15-16(20)18(17(21)22-15)11-12-6-2-1-3-7-12/h1-10,19H,11H2/b15-10-
InChIKey
OYCGZWJFOSECCA-GDNBJRDFSA-N
Compound name
(5Z)-3-benzyl-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.0616 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.06888 171.2
[M+Na]+ 334.05082 180.1
[M-H]- 310.05432 179.0
[M+NH4]+ 329.09542 186.3
[M+K]+ 350.02476 173.6
[M+H-H2O]+ 294.05886 163.7
[M+HCOO]- 356.05980 187.4
[M+CH3COO]- 370.07545 182.5
[M+Na-2H]- 332.03627 169.6
[M]+ 311.06105 171.5
[M]- 311.06215 171.5
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.