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]+ 240.03250 149.5
[M+Na]+ 262.01444 158.5
[M-H]- 238.01794 151.8
[M+NH4]+ 257.05904 166.4
[M+K]+ 277.98838 153.5
[M+H-H2O]+ 222.02248 144.1
[M+HCOO]- 284.02342 163.4
[M+CH3COO]- 298.03907 181.1
[M+Na-2H]- 259.99989 148.5
[M]+ 239.02467 148.5
[M]- 239.02577 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