CID 1241441

5-benzylidenethiazolidine-2,4-dione

Structural Information

Molecular Formula

C₁₀H₇NO₂S

SMILES

C1=CC=C(C=C1)/C=C/2\C(=O)NC(=O)S2

InChI

InChI=1S/C10H7NO2S/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-6H,(H,11,12,13)/b8-6+

InChIKey

SGIZECXZFLAGBW-SOFGYWHQSA-N

Compound name

(5E)-5-benzylidene-1,3-thiazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 205.01974 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	206.02702	144.5
[M+Na]+	228.00896	155.9
[M+NH4]+	223.05356	152.5
[M+K]+	243.98290	149.4
[M-H]-	204.01246	146.5
[M+Na-2H]-	225.99441	149.7
[M]+	205.01919	146.9
[M]-	205.02029	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe