CID 20979874

Benzyl 2,6-dihydroxybenzoate 2-glucoside

Structural Information

Molecular Formula
C20H22O9
SMILES
C1=CC=C(C=C1)COC(=O)C2=C(C=CC=C2OC3C(C(C(C(O3)CO)O)O)O)O
InChI
InChI=1S/C20H22O9/c21-9-14-16(23)17(24)18(25)20(29-14)28-13-8-4-7-12(22)15(13)19(26)27-10-11-5-2-1-3-6-11/h1-8,14,16-18,20-25H,9-10H2
InChIKey
GTFARABJCNHOHO-UHFFFAOYSA-N
Compound name
benzyl 2-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.12637 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.13365 193.3
[M+Na]+ 429.11559 203.2
[M+NH4]+ 424.16019 196.4
[M+K]+ 445.08953 201.0
[M-H]- 405.11909 195.7
[M+Na-2H]- 427.10104 195.6
[M]+ 406.12582 194.9
[M]- 406.12692 194.9
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.