CID 170100

38690-79-8

Structural Information

Molecular Formula

C₁₇H₁₆N₂

SMILES

CCCC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H16N2/c1-2-3-14-4-6-16(7-5-14)13-19-17-10-8-15(12-18)9-11-17/h4-11,13H,2-3H2,1H3

InChIKey

WNPUCDQWHSMXIN-UHFFFAOYSA-N

Compound name

4-[(4-propylphenyl)methylideneamino]benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 248.13135 Da
Monoisotopic Mass: 4.3
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]+	249.13863	162.8
[M+Na]+	271.12057	177.0
[M+NH4]+	266.16517	168.5
[M+K]+	287.09451	164.4
[M-H]-	247.12407	161.3
[M+Na-2H]-	269.10602	169.8
[M]+	248.13080	163.8
[M]-	248.13190	163.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe