CID 28401721

4-(4-aminophenoxy)-3-methoxybenzonitrile

Structural Information

Molecular Formula
C14H12N2O2
SMILES
COC1=C(C=CC(=C1)C#N)OC2=CC=C(C=C2)N
InChI
InChI=1S/C14H12N2O2/c1-17-14-8-10(9-15)2-7-13(14)18-12-5-3-11(16)4-6-12/h2-8H,16H2,1H3
InChIKey
OBHXQYWPLSEXJX-UHFFFAOYSA-N
Compound name
4-(4-aminophenoxy)-3-methoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.08987 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.097146 156.9
[M+Na]+ 263.079088 167.4
[M-H]- 239.082594 162.3
[M+NH4]+ 258.123693 172.2
[M+K]+ 279.053028 162.7
[M+H-H2O]+ 223.087130 143.0
[M+HCOO]- 285.088071 178.0
[M+CH3COO]- 299.103721 205.9
[M+Na-2H]- 261.064536 161.1
[M]+ 240.08932142 152.7
[M]- 240.09041858 152.7
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

No patent data available for this compound.