CID 174087

65151-24-8

Structural Information

Molecular Formula

C₁₆H₁₈ClN

SMILES

CCN(CC1=CC=CC=C1Cl)C2=CC=CC(=C2)C

InChI

InChI=1S/C16H18ClN/c1-3-18(15-9-6-7-13(2)11-15)12-14-8-4-5-10-16(14)17/h4-11H,3,12H2,1-2H3

InChIKey

QJVZEZUKVBECII-UHFFFAOYSA-N

Compound name

N-[(2-chlorophenyl)methyl]-N-ethyl-3-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 259.11276 Da
Monoisotopic Mass: 4.9
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]+	260.12004	159.8
[M+Na]+	282.10198	167.5
[M-H]-	258.10548	167.5
[M+NH4]+	277.14658	178.0
[M+K]+	298.07592	162.5
[M+H-H2O]+	242.11002	152.6
[M+HCOO]-	304.11096	180.4
[M+CH3COO]-	318.12661	202.3
[M+Na-2H]-	280.08743	164.3
[M]+	259.11221	163.1
[M]-	259.11331	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe