CID 90598

4-((4-ethoxybenzylidene)amino)benzonitrile

Structural Information

Molecular Formula
C16H14N2O
SMILES
CCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N
InChI
InChI=1S/C16H14N2O/c1-2-19-16-9-5-14(6-10-16)12-18-15-7-3-13(11-17)4-8-15/h3-10,12H,2H2,1H3
InChIKey
YFZISFITJTVAET-UHFFFAOYSA-N
Compound name
4-[(4-ethoxyphenyl)methylideneamino]benzonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

109
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

literature stripe

Patent stripe

patents stripe