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 194.9
[M+Na]+ 380.16210 203.4
[M-H]- 356.16560 201.7
[M+NH4]+ 375.20670 205.5
[M+K]+ 396.13604 195.4
[M+H-H2O]+ 340.17014 178.9
[M+HCOO]- 402.17108 212.1
[M+CH3COO]- 416.18673 224.2
[M+Na-2H]- 378.14755 197.7
[M]+ 357.17233 191.7
[M]- 357.17343 191.7
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