CID 468285

Phenethyl 6-galloylglucoside

Structural Information

Molecular Formula
C21H24O10
SMILES
C1=CC=C(C=C1)CCOC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O
InChI
InChI=1S/C21H24O10/c22-13-8-12(9-14(23)16(13)24)20(28)30-10-15-17(25)18(26)19(27)21(31-15)29-7-6-11-4-2-1-3-5-11/h1-5,8-9,15,17-19,21-27H,6-7,10H2
InChIKey
ZMYPTBCSUJAIQL-UHFFFAOYSA-N
Compound name
[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

436.13693 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.14421 200.7
[M+Na]+ 459.12615 209.6
[M+NH4]+ 454.17075 202.6
[M+K]+ 475.10009 208.2
[M-H]- 435.12965 202.1
[M+Na-2H]- 457.11160 201.4
[M]+ 436.13638 201.7
[M]- 436.13748 201.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.