CID 24802212

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

Structural Information

Molecular Formula
C15H15NO7
SMILES
C1=CC2=C(C(=C1)O[C@H]3C([C@@H]([C@@H](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)/t10-,11+,12?,13?,15-/m1/s1
InChIKey
DPEGQJDYRIQRHI-BRUFSJIZSA-N
Compound name
(3S,4R,6S)-3,4,5-trihydroxy-6-quinolin-8-yloxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 169.0
[M+Na]+ 344.07406 175.3
[M-H]- 320.07756 170.8
[M+NH4]+ 339.11866 178.5
[M+K]+ 360.04800 173.4
[M+H-H2O]+ 304.08210 161.1
[M+HCOO]- 366.08304 180.4
[M+CH3COO]- 380.09869 199.4
[M+Na-2H]- 342.05951 171.5
[M]+ 321.08429 167.7
[M]- 321.08539 167.7
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.