CID 3067160

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

Structural Information

Molecular Formula
C24H23NO2
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C24H23NO2/c1-24(2,21-13-11-19(16-25)12-14-21)18-26-17-20-7-6-10-23(15-20)27-22-8-4-3-5-9-22/h3-15H,17-18H2,1-2H3
InChIKey
WODQPKKWLAAOLQ-UHFFFAOYSA-N
Compound name
4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

357.17288 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.18016 190.8
[M+Na]+ 380.16210 205.7
[M+NH4]+ 375.20670 195.6
[M+K]+ 396.13604 193.1
[M-H]- 356.16560 189.7
[M+Na-2H]- 378.14755 198.6
[M]+ 357.17233 192.2
[M]- 357.17343 192.2
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