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]+ 315.159076 173.4
[M+Na]+ 337.141018 181.5
[M-H]- 313.144524 182.2
[M+NH4]+ 332.185623 187.7
[M+K]+ 353.114958 178.2
[M+H-H2O]+ 297.149060 166.6
[M+HCOO]- 359.150001 192.3
[M+CH3COO]- 373.165651 204.2
[M+Na-2H]- 335.126466 172.6
[M]+ 314.15125142 174.8
[M]- 314.15234858 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.