CID 3067114

3-phenoxybenzyl 2-phenyl-2-methylpropyl ether

Structural Information

Molecular Formula
C23H24O2
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H24O2/c1-23(2,20-11-5-3-6-12-20)18-24-17-19-10-9-15-22(16-19)25-21-13-7-4-8-14-21/h3-16H,17-18H2,1-2H3
InChIKey
NJOSRNFNOHCSCZ-UHFFFAOYSA-N
Compound name
1-[(2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

332.17764 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.18492 182.4
[M+Na]+ 355.16686 187.5
[M-H]- 331.17036 191.2
[M+NH4]+ 350.21146 195.3
[M+K]+ 371.14080 182.6
[M+H-H2O]+ 315.17490 172.7
[M+HCOO]- 377.17584 203.7
[M+CH3COO]- 391.19149 210.5
[M+Na-2H]- 353.15231 187.8
[M]+ 332.17709 184.3
[M]- 332.17819 184.3
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