CID 169501848

2-hydroxy-2,2-diphenylacetic acid-glucuronide

Structural Information

Molecular Formula
C20H20O9
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O
InChI
InChI=1S/C20H20O9/c21-13-14(22)16(17(24)25)28-18(15(13)23)29-19(26)20(27,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-16,18,21-23,27H,(H,24,25)/t13-,14-,15+,16-,18-/m0/s1
InChIKey
FAEYIYPYCCRDEB-RPUYLAQPSA-N
Compound name
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-2,2-diphenylacetyl)oxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.11072 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.11800 189.0
[M+Na]+ 427.09994 197.5
[M+NH4]+ 422.14454 191.5
[M+K]+ 443.07388 197.1
[M-H]- 403.10344 190.2
[M+Na-2H]- 425.08539 191.6
[M]+ 404.11017 190.0
[M]- 404.11127 190.0
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.