CID 10914757

1070788-08-7

Structural Information

Molecular Formula

C₂₃H₃₃NO

SMILES

C1=CC=C(C=C1)CCCCOCCCCCCNCC2=CC=CC=C2

InChI

InChI=1S/C23H33NO/c1(10-18-24-21-23-16-7-4-8-17-23)2-11-19-25-20-12-9-15-22-13-5-3-6-14-22/h3-8,13-14,16-17,24H,1-2,9-12,15,18-21H2

InChIKey

JWLIKZBRVQRFNF-UHFFFAOYSA-N

Compound name

N-benzyl-6-(4-phenylbutoxy)hexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 339.25623 Da
Monoisotopic Mass: 5.2
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]+	340.263506	187.2
[M+Na]+	362.245448	188.9
[M-H]-	338.248954	191.5
[M+NH4]+	357.290053	199.7
[M+K]+	378.219388	183.2
[M+H-H2O]+	322.253490	177.4
[M+HCOO]-	384.254431	209.7
[M+CH3COO]-	398.270081	215.8
[M+Na-2H]-	360.230896	190.7
[M]+	339.25568142	190.0
[M]-	339.25677858	190.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe