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 207.9
[M+Na]+ 447.19308 212.0
[M-H]- 423.19658 219.2
[M+NH4]+ 442.23768 216.2
[M+K]+ 463.16702 206.3
[M+H-H2O]+ 407.20112 195.7
[M+HCOO]- 469.20206 227.9
[M+CH3COO]- 483.21771 227.2
[M+Na-2H]- 445.17853 211.5
[M]+ 424.20331 210.3
[M]- 424.20441 210.3
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