CID 3084734

39203-84-4

Structural Information

Molecular Formula

C₁₈H₁₈N₂

SMILES

CCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H18N2/c1-2-3-4-15-9-11-18(12-10-15)20-14-17-7-5-16(13-19)6-8-17/h5-12,14H,2-4H2,1H3

InChIKey

BLMGOWKLIOMCGZ-UHFFFAOYSA-N

Compound name

4-[(4-butylphenyl)iminomethyl]benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 262.147 Da
Monoisotopic Mass: 4.8
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]+	263.15428	167.0
[M+Na]+	285.13622	181.0
[M+NH4]+	280.18082	172.4
[M+K]+	301.11016	168.1
[M-H]-	261.13972	165.4
[M+Na-2H]-	283.12167	173.6
[M]+	262.14645	167.9
[M]-	262.14755	167.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe