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]+ 239.11789 157.6
[M+Na]+ 261.09983 167.3
[M-H]- 237.10333 164.2
[M+NH4]+ 256.14443 173.6
[M+K]+ 277.07377 162.9
[M+H-H2O]+ 221.10787 143.3
[M+HCOO]- 283.10881 179.3
[M+CH3COO]- 297.12446 209.2
[M+Na-2H]- 259.08528 162.3
[M]+ 238.11006 154.2
[M]- 238.11116 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.