CID 61229478

4-[3-(dimethylamino)phenoxy]benzonitrile

Structural Information

Molecular Formula
C15H14N2O
SMILES
CN(C)C1=CC(=CC=C1)OC2=CC=C(C=C2)C#N
InChI
InChI=1S/C15H14N2O/c1-17(2)13-4-3-5-15(10-13)18-14-8-6-12(11-16)7-9-14/h3-10H,1-2H3
InChIKey
QTNGTUOZQATMFC-UHFFFAOYSA-N
Compound name
4-[3-(dimethylamino)phenoxy]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.11061 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.117886 157.6
[M+Na]+ 261.099828 167.3
[M-H]- 237.103334 164.2
[M+NH4]+ 256.144433 173.6
[M+K]+ 277.073768 162.9
[M+H-H2O]+ 221.107870 143.3
[M+HCOO]- 283.108811 179.3
[M+CH3COO]- 297.124461 209.2
[M+Na-2H]- 259.085276 162.3
[M]+ 238.11006142 154.2
[M]- 238.11115858 154.2
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

No patent data available for this compound.