CID 123503

41335-35-7

Structural Information

Molecular Formula

C₂₂H₂₆N₂O

SMILES

CCCCCCCCOC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H26N2O/c1-2-3-4-5-6-7-16-25-22-14-12-21(13-15-22)24-18-20-10-8-19(17-23)9-11-20/h8-15,18H,2-7,16H2,1H3

InChIKey

GHEOCRUPTSCQLY-UHFFFAOYSA-N

Compound name

4-[(4-octoxyphenyl)iminomethyl]benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 334.2045 Da
Monoisotopic Mass: 6.3
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]+	335.21178	186.2
[M+Na]+	357.19372	199.0
[M+NH4]+	352.23832	190.5
[M+K]+	373.16766	185.7
[M-H]-	333.19722	183.9
[M+Na-2H]-	355.17917	191.4
[M]+	334.20395	186.6
[M]-	334.20505	186.6

Literature stripe

literature stripe

Patent stripe

patents stripe