CID 613590

34128-02-4

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

1
Annotation Hits: 0
References: 4
Patents: 250.11061 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	251.11789	161.6
[M+Na]+	273.09983	175.5
[M+NH4]+	268.14443	166.9
[M+K]+	289.07377	163.5
[M-H]-	249.10333	159.6
[M+Na-2H]-	271.08528	168.3
[M]+	250.11006	162.3
[M]-	250.11116	162.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe