CID 3067190

3-phenoxybenzyl 2-(4-ethoxycarbonylphenyl)-2-methylpropyl ether

Structural Information

Molecular Formula
C26H28O4
SMILES
CCOC(=O)C1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C26H28O4/c1-4-29-25(27)21-13-15-22(16-14-21)26(2,3)19-28-18-20-9-8-12-24(17-20)30-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3
InChIKey
UCTAHBKSBDUUJI-UHFFFAOYSA-N
Compound name
ethyl 4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

404.19876 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.20604 201.4
[M+Na]+ 427.18798 205.6
[M-H]- 403.19148 210.1
[M+NH4]+ 422.23258 211.2
[M+K]+ 443.16192 201.6
[M+H-H2O]+ 387.19602 190.9
[M+HCOO]- 449.19696 221.0
[M+CH3COO]- 463.21261 223.8
[M+Na-2H]- 425.17343 203.5
[M]+ 404.19821 206.1
[M]- 404.19931 206.1
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