CID 3054639

71548-62-4

Structural Information

Molecular Formula
C23H22O3
SMILES
CCOC(=O)C(C1=CC=CC=C1)OC2=CC=C(C=C2)CC3=CC=CC=C3
InChI
InChI=1S/C23H22O3/c1-2-25-23(24)22(20-11-7-4-8-12-20)26-21-15-13-19(14-16-21)17-18-9-5-3-6-10-18/h3-16,22H,2,17H2,1H3
InChIKey
MDHWAYKOLQDQNK-UHFFFAOYSA-N
Compound name
ethyl 2-(4-benzylphenoxy)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.1569 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.16418 185.0
[M+Na]+ 369.14612 189.2
[M-H]- 345.14962 193.6
[M+NH4]+ 364.19072 196.9
[M+K]+ 385.12006 184.9
[M+H-H2O]+ 329.15416 174.8
[M+HCOO]- 391.15510 206.2
[M+CH3COO]- 405.17075 212.3
[M+Na-2H]- 367.13157 187.3
[M]+ 346.15635 186.7
[M]- 346.15745 186.7
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.