CID 461960

(3r,4r)-3-(4'-hydroxy-3'-methoxybenzyl)-4-(3"""",4""""-dimethoxybenzyl)tetrahydrofuran

Structural Information

Molecular Formula
C21H26O6
SMILES
COC1=C(C=C(C=C1)C([C@H]2COC[C@@H]2CC3=CC(=C(C=C3)O)OC)O)OC
InChI
InChI=1S/C21H26O6/c1-24-18-7-5-14(10-20(18)26-3)21(23)16-12-27-11-15(16)8-13-4-6-17(22)19(9-13)25-2/h4-7,9-10,15-16,21-23H,8,11-12H2,1-3H3/t15-,16-,21?/m0/s1
InChIKey
LRZKXJHJEVHPID-MBFMUOJQSA-N
Compound name
4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)-hydroxymethyl]oxolan-3-yl]methyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.17294 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18022 188.1
[M+Na]+ 397.16216 193.4
[M-H]- 373.16566 196.1
[M+NH4]+ 392.20676 199.2
[M+K]+ 413.13610 191.8
[M+H-H2O]+ 357.17020 180.2
[M+HCOO]- 419.17114 205.5
[M+CH3COO]- 433.18679 214.2
[M+Na-2H]- 395.14761 186.0
[M]+ 374.17239 191.9
[M]- 374.17349 191.9
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.