CID 49777816

4-[(2s,3s,4r,5r)-5-(4-hydroxyphenyl)-3,4-dimethyl-tetrahydrofuran-2-yl]-2-methoxy-phenol

Structural Information

Molecular Formula
C19H22O4
SMILES
C[C@@H]1[C@@H]([C@H](O[C@H]1C2=CC=C(C=C2)O)C3=CC(=C(C=C3)O)OC)C
InChI
InChI=1S/C19H22O4/c1-11-12(2)19(14-6-9-16(21)17(10-14)22-3)23-18(11)13-4-7-15(20)8-5-13/h4-12,18-21H,1-3H3/t11-,12+,18-,19+/m1/s1
InChIKey
DKUILHLOCPAHRG-CUWOSUSNSA-N
Compound name
4-[(2S,3S,4R,5R)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.1518 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15908 173.4
[M+Na]+ 337.14102 181.5
[M-H]- 313.14452 182.2
[M+NH4]+ 332.18562 187.7
[M+K]+ 353.11496 178.2
[M+H-H2O]+ 297.14906 166.6
[M+HCOO]- 359.15000 192.3
[M+CH3COO]- 373.16565 204.2
[M+Na-2H]- 335.12647 172.6
[M]+ 314.15125 174.8
[M]- 314.15235 174.8
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.