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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.11800 172.7
[M+Na]+ 355.09994 181.6
[M+NH4]+ 350.14454 175.9
[M+K]+ 371.07388 180.7
[M-H]- 331.10344 172.8
[M+Na-2H]- 353.08539 172.6
[M]+ 332.11017 173.5
[M]- 332.11127 173.5
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

patents stripe