CID 10316468

Chembl514546

Structural Information

Molecular Formula
C20H24O6
SMILES
COC1=C(C=CC(=C1)C[C@H]2COC([C@@H]2CC3=CC(=C(C=C3)O)OC)O)O
InChI
InChI=1S/C20H24O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,20-23H,7-8,11H2,1-2H3/t14-,15+,20?/m0/s1
InChIKey
AQTZWMJGAOIWFV-VKWYCSODSA-N
Compound name
(3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

23
Patents

360.1573 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16458 185.5
[M+Na]+ 383.14652 197.3
[M+NH4]+ 378.19112 191.3
[M+K]+ 399.12046 194.1
[M-H]- 359.15002 190.1
[M+Na-2H]- 381.13197 189.7
[M]+ 360.15675 188.4
[M]- 360.15785 188.4
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