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]+ 241.09715 156.9
[M+Na]+ 263.07909 167.4
[M-H]- 239.08259 162.3
[M+NH4]+ 258.12369 172.2
[M+K]+ 279.05303 162.7
[M+H-H2O]+ 223.08713 143.0
[M+HCOO]- 285.08807 178.0
[M+CH3COO]- 299.10372 205.9
[M+Na-2H]- 261.06454 161.1
[M]+ 240.08932 152.7
[M]- 240.09042 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.