CID 563482

N-benzyl-o-phenetidine

Structural Information

Molecular Formula

C₁₅H₁₇NO

SMILES

CCOC1=CC=CC=C1NCC2=CC=CC=C2

InChI

InChI=1S/C15H17NO/c1-2-17-15-11-7-6-10-14(15)16-12-13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3

InChIKey

VCFBFZSSLLVLIS-UHFFFAOYSA-N

Compound name

N-benzyl-2-ethoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 227.13101 Da
Monoisotopic Mass: 3.7
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]+	228.13829	152.9
[M+Na]+	250.12023	167.4
[M+NH4]+	245.16483	162.4
[M+K]+	266.09417	158.4
[M-H]-	226.12373	158.9
[M+Na-2H]-	248.10568	163.5
[M]+	227.13046	156.8
[M]-	227.13156	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe