CID 461962

(3r,4r)-3,4-bis(4'-hydroxy-3'-methoxybenzyl)tetrahydrofuran

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.1573 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16458 183.7
[M+Na]+ 383.14652 189.0
[M-H]- 359.15002 190.5
[M+NH4]+ 378.19112 194.7
[M+K]+ 399.12046 186.8
[M+H-H2O]+ 343.15456 176.3
[M+HCOO]- 405.15550 200.0
[M+CH3COO]- 419.17115 209.1
[M+Na-2H]- 381.13197 181.8
[M]+ 360.15675 185.4
[M]- 360.15785 185.4
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

No patent data available for this compound.