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 176.4
[M+Na]+ 376.10027 182.5
[M-H]- 352.10377 176.2
[M+NH4]+ 371.14487 185.4
[M+K]+ 392.07421 179.7
[M+H-H2O]+ 336.10831 170.0
[M+HCOO]- 398.10925 186.7
[M+CH3COO]- 412.12490 201.7
[M+Na-2H]- 374.08572 175.6
[M]+ 353.11050 175.9
[M]- 353.11160 175.9
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.