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

178
Patents

455.17914 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.18642 206.0
[M+Na]+ 478.16836 213.2
[M+NH4]+ 473.21296 207.9
[M+K]+ 494.14230 214.5
[M-H]- 454.17186 208.0
[M+Na-2H]- 476.15381 203.1
[M]+ 455.17859 206.9
[M]- 455.17969 206.9
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

patents stripe