CID 124202061

Dihyroxy-1h-indole glucuronide i

Structural Information

Molecular Formula
C14H15NO8
SMILES
C1=CNC2=CC(=C(C=C21)O)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)O)O)O)O
InChI
InChI=1S/C14H15NO8/c16-7-3-5-1-2-15-6(5)4-8(7)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-4,9-12,14-19H,(H,20,21)/t9-,10-,11+,12-,14+/m1/s1
InChIKey
IAHCDPVIVIKDFJ-DIACKHNESA-N
Compound name
(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[(5-hydroxy-1H-indol-6-yl)oxy]oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

325.07977 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.08705 170.2
[M+Na]+ 348.06899 178.9
[M+NH4]+ 343.11359 173.5
[M+K]+ 364.04293 180.3
[M-H]- 324.07249 169.5
[M+Na-2H]- 346.05444 169.5
[M]+ 325.07922 170.6
[M]- 325.08032 170.6
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

No patent data available for this compound.