CID 613590

4'-cyanobenzylidene-4-ethoxyaniline

Structural Information

Molecular Formula
C16H14N2O
SMILES
CCOC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C#N
InChI
InChI=1S/C16H14N2O/c1-2-19-16-9-7-15(8-10-16)18-12-14-5-3-13(11-17)4-6-14/h3-10,12H,2H2,1H3
InChIKey
WTTZYFPFXIZAOS-UHFFFAOYSA-N
Compound name
4-[(4-ethoxyphenyl)iminomethyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

250.11061 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.117886 160.7
[M+Na]+ 273.099828 170.6
[M-H]- 249.103334 167.1
[M+NH4]+ 268.144433 176.3
[M+K]+ 289.073768 165.0
[M+H-H2O]+ 233.107870 146.2
[M+HCOO]- 295.108811 183.1
[M+CH3COO]- 309.124461 209.8
[M+Na-2H]- 271.085276 166.0
[M]+ 250.11006142 157.4
[M]- 250.11115858 157.4
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