CID 258534

8-hydroxyquinoline-beta-d-glucuronic acid, sodium salt

Structural Information

Molecular Formula
C15H15NO7
SMILES
C1=CC2=C(C(=C1)OC3C(C(C(C(O3)C(=O)O)O)O)O)N=CC=C2
InChI
InChI=1S/C15H15NO7/c17-10-11(18)13(14(20)21)23-15(12(10)19)22-8-5-1-3-7-4-2-6-16-9(7)8/h1-6,10-13,15,17-19H,(H,20,21)
InChIKey
DPEGQJDYRIQRHI-UHFFFAOYSA-N
Compound name
3,4,5-trihydroxy-6-quinolin-8-yloxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

115
Patents

321.08484 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.09212 170.5
[M+Na]+ 344.07406 181.5
[M+NH4]+ 339.11866 175.2
[M+K]+ 360.04800 178.9
[M-H]- 320.07756 172.0
[M+Na-2H]- 342.05951 172.6
[M]+ 321.08429 172.1
[M]- 321.08539 172.1
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