CID 6280959

(z)-5-(2,4-dihydroxybenzylidene)thiazolidine-2,4-dione

Structural Information

Molecular Formula
C10H7NO4S
SMILES
C1=CC(=C(C=C1O)O)/C=C\2/C(=O)NC(=O)S2
InChI
InChI=1S/C10H7NO4S/c12-6-2-1-5(7(13)4-6)3-8-9(14)11-10(15)16-8/h1-4,12-13H,(H,11,14,15)/b8-3-
InChIKey
CPVBTHMWQGHRIR-BAQGIRSFSA-N
Compound name
(5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

15
Patents

237.00958 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.01686 149.2
[M+Na]+ 259.99880 158.5
[M-H]- 236.00230 151.6
[M+NH4]+ 255.04340 166.2
[M+K]+ 275.97274 152.9
[M+H-H2O]+ 220.00684 143.9
[M+HCOO]- 282.00778 163.3
[M+CH3COO]- 296.02343 179.6
[M+Na-2H]- 257.98425 148.1
[M]+ 237.00903 147.4
[M]- 237.01013 147.4
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