CID 3061687

5-(3,4-dihydroxybenzyl)thiazolidine-2,4-dione

Structural Information

Molecular Formula
C10H9NO4S
SMILES
C1=CC(=C(C=C1CC2C(=O)NC(=O)S2)O)O
InChI
InChI=1S/C10H9NO4S/c12-6-2-1-5(3-7(6)13)4-8-9(14)11-10(15)16-8/h1-3,8,12-13H,4H2,(H,11,14,15)
InChIKey
BDVGWQVSMPATBP-UHFFFAOYSA-N
Compound name
5-[(3,4-dihydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

239.02522 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.032496 149.5
[M+Na]+ 262.014438 158.5
[M-H]- 238.017944 151.8
[M+NH4]+ 257.059043 166.4
[M+K]+ 277.988378 153.5
[M+H-H2O]+ 222.022480 144.1
[M+HCOO]- 284.023421 163.4
[M+CH3COO]- 298.039071 181.1
[M+Na-2H]- 259.999886 148.5
[M]+ 239.02467142 148.5
[M]- 239.02576858 148.5
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

patents stripe