CID 196512

5-hydroxy-6-methoxyindole glucuronide

Structural Information

Molecular Formula
C15H17NO8
SMILES
COC1=C(C=C2C=CNC2=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChI
InChI=1S/C15H17NO8/c1-22-8-5-7-6(2-3-16-7)4-9(8)23-15-12(19)10(17)11(18)13(24-15)14(20)21/h2-5,10-13,15-19H,1H3,(H,20,21)/t10-,11-,12+,13-,15+/m0/s1
InChIKey
MLRMPLSCFCMXGJ-DKBOKBLXSA-N
Compound name
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(6-methoxy-1H-indol-5-yl)oxy]oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

339.09543 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.10271 174.3
[M+Na]+ 362.08465 183.3
[M+NH4]+ 357.12925 177.7
[M+K]+ 378.05859 184.1
[M-H]- 338.08815 174.0
[M+Na-2H]- 360.07010 174.0
[M]+ 339.09488 174.9
[M]- 339.09598 174.9
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.