CID 1394178

Chembl233375

Structural Information

Molecular Formula
C11H9NO4S
SMILES
COC1=C(C=C(C=C1)/C=C\2/C(=O)NC(=O)S2)O
InChI
InChI=1S/C11H9NO4S/c1-16-8-3-2-6(4-7(8)13)5-9-10(14)12-11(15)17-9/h2-5,13H,1H3,(H,12,14,15)/b9-5-
InChIKey
MHRJJGJJVMGLRQ-UITAMQMPSA-N
Compound name
(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

251.02522 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.032496 153.0
[M+Na]+ 274.014438 162.4
[M-H]- 250.017944 156.7
[M+NH4]+ 269.059043 170.2
[M+K]+ 289.988378 157.5
[M+H-H2O]+ 234.022480 147.3
[M+HCOO]- 296.023421 168.3
[M+CH3COO]- 310.039071 184.9
[M+Na-2H]- 271.999886 151.9
[M]+ 251.02467142 153.4
[M]- 251.02576858 153.4
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.