CID 131751962

2,4,6-phenanthrenetriol 2-o-b-d-glucoside

Structural Information

Molecular Formula

C₂₀H₂₀O₈

SMILES

C1=CC2=CC(=CC(=C2C3=C1C=CC(=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O

InChI

InChI=1S/C20H20O8/c21-8-15-17(24)18(25)19(26)20(28-15)27-12-5-10-2-1-9-3-4-11(22)6-13(9)16(10)14(23)7-12/h1-7,15,17-26H,8H2

InChIKey

OLRKGPYAYTYJGF-UHFFFAOYSA-N

Compound name

2-(4,6-dihydroxyphenanthren-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 388.1158 Da
Monoisotopic Mass: 1.3
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]+	389.123076	186.4
[M+Na]+	411.105018	193.9
[M-H]-	387.108524	188.7
[M+NH4]+	406.149623	194.8
[M+K]+	427.078958	191.0
[M+H-H2O]+	371.113060	178.6
[M+HCOO]-	433.114001	196.1
[M+CH3COO]-	447.129651	212.3
[M+Na-2H]-	409.090466	188.9
[M]+	388.11525142	187.2
[M]-	388.11634858	187.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.