CID 13851701

(e)-2-glucosyl-3,4',5-trihydroxystilbene

Structural Information

Molecular Formula

C₂₀H₂₂O₈

SMILES

C1=CC(=CC=C1/C=C/C2=C(C(=CC(=C2)O)O)C3C(C(C(C(O3)CO)O)O)O)O

InChI

InChI=1S/C20H22O8/c21-9-15-17(25)18(26)19(27)20(28-15)16-11(7-13(23)8-14(16)24)4-1-10-2-5-12(22)6-3-10/h1-8,15,17-27H,9H2/b4-1+

InChIKey

ISYJYFWUXHMCFY-DAFODLJHSA-N

Compound name

2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 390.13147 Da
Monoisotopic Mass: 0.7
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]+	391.138746	191.4
[M+Na]+	413.120688	196.7
[M-H]-	389.124194	193.3
[M+NH4]+	408.165293	196.9
[M+K]+	429.094628	192.7
[M+H-H2O]+	373.128730	183.4
[M+HCOO]-	435.129671	200.5
[M+CH3COO]-	449.145321	209.5
[M+Na-2H]-	411.106136	188.4
[M]+	390.13092142	188.0
[M]-	390.13201858	188.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.