CID 131752948

Tryptophol [xylosyl-(1->6)-glucoside]

Structural Information

Molecular Formula

C₂₁H₂₉NO₁₀

SMILES

C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CNC4=CC=CC=C43)O)O)O)O)O)O

InChI

InChI=1S/C21H29NO10/c23-13-8-30-20(18(27)15(13)24)31-9-14-16(25)17(26)19(28)21(32-14)29-6-5-10-7-22-12-4-2-1-3-11(10)12/h1-4,7,13-28H,5-6,8-9H2

InChIKey

ONVGARFWQRCLML-UHFFFAOYSA-N

Compound name

2-[2-(1H-indol-3-yl)ethoxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 187
Patents: 455.17914 Da
Monoisotopic Mass: -2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	456.186416	202.1
[M+Na]+	478.168358	204.9
[M-H]-	454.171864	203.6
[M+NH4]+	473.212963	204.5
[M+K]+	494.142298	203.6
[M+H-H2O]+	438.176400	194.3
[M+HCOO]-	500.177341	206.2
[M+CH3COO]-	514.192991	221.0
[M+Na-2H]-	476.153806	199.0
[M]+	455.17859142	200.9
[M]-	455.17968858	200.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe