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

1
Patents

318.162 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.169276 177.4
[M+Na]+ 341.151218 183.1
[M-H]- 317.154724 185.1
[M+NH4]+ 336.195823 190.4
[M+K]+ 357.125158 177.0
[M+H-H2O]+ 301.159260 167.9
[M+HCOO]- 363.160201 199.1
[M+CH3COO]- 377.175851 205.7
[M+Na-2H]- 339.136666 181.6
[M]+ 318.16145142 178.1
[M]- 318.16254858 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

patents stripe