CID 233071

5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Structural Information

Molecular Formula
C10H7NO3S
SMILES
C1=CC=C(C(=C1)C=C2C(=O)NC(=O)S2)O
InChI
InChI=1S/C10H7NO3S/c12-7-4-2-1-3-6(7)5-8-9(13)11-10(14)15-8/h1-5,12H,(H,11,13,14)
InChIKey
IZVVCHFDGJEVTB-UHFFFAOYSA-N
Compound name
5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

58
Patents

221.01466 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.02194 146.1
[M+Na]+ 244.00388 155.3
[M-H]- 220.00738 149.6
[M+NH4]+ 239.04848 164.3
[M+K]+ 259.97782 150.0
[M+H-H2O]+ 204.01192 140.5
[M+HCOO]- 266.01286 161.6
[M+CH3COO]- 280.02851 178.4
[M+Na-2H]- 241.98933 145.8
[M]+ 221.01411 144.3
[M]- 221.01521 144.3
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