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

95
Patents

205.01974 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.02702 142.8
[M+Na]+ 228.00896 151.9
[M-H]- 204.01246 147.4
[M+NH4]+ 223.05356 162.2
[M+K]+ 243.98290 147.0
[M+H-H2O]+ 188.01700 136.8
[M+HCOO]- 250.01794 159.7
[M+CH3COO]- 264.03359 177.6
[M+Na-2H]- 225.99441 143.4
[M]+ 205.01919 141.0
[M]- 205.02029 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe