CID 3067181

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

Structural Information

Molecular Formula
C29H28O3
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4
InChI
InChI=1S/C29H28O3/c1-29(2,24-16-18-27(19-17-24)31-25-11-5-3-6-12-25)22-30-21-23-10-9-15-28(20-23)32-26-13-7-4-8-14-26/h3-20H,21-22H2,1-2H3
InChIKey
QJDSRVNJUVWIEG-UHFFFAOYSA-N
Compound name
1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

424.20386 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.21114 209.1
[M+Na]+ 447.19308 226.7
[M+NH4]+ 442.23768 217.6
[M+K]+ 463.16702 215.5
[M-H]- 423.19658 218.5
[M+Na-2H]- 445.17853 223.0
[M]+ 424.20331 214.8
[M]- 424.20441 214.8
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