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

8
Patents

357.17288 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.180156 194.9
[M+Na]+ 380.162098 203.4
[M-H]- 356.165604 201.7
[M+NH4]+ 375.206703 205.5
[M+K]+ 396.136038 195.4
[M+H-H2O]+ 340.170140 178.9
[M+HCOO]- 402.171081 212.1
[M+CH3COO]- 416.186731 224.2
[M+Na-2H]- 378.147546 197.7
[M]+ 357.17233142 191.7
[M]- 357.17342858 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