CID 3085370

68310-58-7

Structural Information

Molecular Formula
C22H22O2
SMILES
C1=CC=C(C=C1)CC2=CC(=CC(=C2)OCCO)CC3=CC=CC=C3
InChI
InChI=1S/C22H22O2/c23-11-12-24-22-16-20(13-18-7-3-1-4-8-18)15-21(17-22)14-19-9-5-2-6-10-19/h1-10,15-17,23H,11-14H2
InChIKey
RFKZWONSBMCNBY-UHFFFAOYSA-N
Compound name
2-(3,5-dibenzylphenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

318.162 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.16928 177.4
[M+Na]+ 341.15122 183.1
[M-H]- 317.15472 185.1
[M+NH4]+ 336.19582 190.4
[M+K]+ 357.12516 177.0
[M+H-H2O]+ 301.15926 167.9
[M+HCOO]- 363.16020 199.1
[M+CH3COO]- 377.17585 205.7
[M+Na-2H]- 339.13667 181.6
[M]+ 318.16145 178.1
[M]- 318.16255 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.