CID 46173086

5-hydroxy tryptophol beta-d-glucuronide

Structural Information

Molecular Formula
C16H19NO8
SMILES
C1=CC2=C(C=C1OC3C(C(C(C(O3)C(=O)O)O)O)O)C(=CN2)CCO
InChI
InChI=1S/C16H19NO8/c18-4-3-7-6-17-10-2-1-8(5-9(7)10)24-16-13(21)11(19)12(20)14(25-16)15(22)23/h1-2,5-6,11-14,16-21H,3-4H2,(H,22,23)
InChIKey
NFLHLWRXDOXSCF-UHFFFAOYSA-N
Compound name
3,4,5-trihydroxy-6-[[3-(2-hydroxyethyl)-1H-indol-5-yl]oxy]oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

353.11105 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.11833 179.0
[M+Na]+ 376.10027 187.3
[M+NH4]+ 371.14487 182.0
[M+K]+ 392.07421 188.2
[M-H]- 352.10377 178.3
[M+Na-2H]- 374.08572 177.9
[M]+ 353.11050 179.3
[M]- 353.11160 179.3
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.