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 202.1
[M+Na]+ 478.16836 204.9
[M-H]- 454.17186 203.6
[M+NH4]+ 473.21296 204.5
[M+K]+ 494.14230 203.6
[M+H-H2O]+ 438.17640 194.3
[M+HCOO]- 500.17734 206.2
[M+CH3COO]- 514.19299 221.0
[M+Na-2H]- 476.15381 199.0
[M]+ 455.17859 200.9
[M]- 455.17969 200.9
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