CID 14237625

Leonuriside a

Structural Information

Molecular Formula

C₁₄H₂₀O₉

SMILES

COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)O

InChI

InChI=1S/C14H20O9/c1-20-7-3-6(16)4-8(21-2)13(7)23-14-12(19)11(18)10(17)9(5-15)22-14/h3-4,9-12,14-19H,5H2,1-2H3

InChIKey

NOQYJICHFNSIFZ-UHFFFAOYSA-N

Compound name

2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 332.11072 Da
Monoisotopic Mass: -0.9
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]+	333.11800	171.0
[M+Na]+	355.09994	177.3
[M-H]-	331.10344	172.4
[M+NH4]+	350.14454	180.5
[M+K]+	371.07388	177.1
[M+H-H2O]+	315.10798	164.1
[M+HCOO]-	377.10892	184.0
[M+CH3COO]-	391.12457	201.0
[M+Na-2H]-	353.08539	170.7
[M]+	332.11017	173.4
[M]-	332.11127	173.4

Literature stripe

literature stripe

Patent stripe

patents stripe