CID 53481014

2,8-dihydroxyquinoline-beta-d-glucuronide

Structural Information

Molecular Formula
C15H15NO8
SMILES
C1=CC2=C(C(=C1)O)N=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChI
InChI=1S/C15H15NO8/c17-7-3-1-2-6-4-5-8(16-9(6)7)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h1-5,10-13,15,17-20H,(H,21,22)/t10-,11-,12+,13-,15+/m0/s1
InChIKey
YQBCNQXCTHWJOK-DKBOKBLXSA-N
Compound name
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(8-hydroxyquinolin-2-yl)oxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

337.07977 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.08705 172.1
[M+Na]+ 360.06899 178.5
[M-H]- 336.07249 172.9
[M+NH4]+ 355.11359 180.4
[M+K]+ 376.04293 176.8
[M+H-H2O]+ 320.07703 164.4
[M+HCOO]- 382.07797 182.1
[M+CH3COO]- 396.09362 201.5
[M+Na-2H]- 358.05444 173.7
[M]+ 337.07922 171.0
[M]- 337.08032 171.0
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.