CID 3086491

103125-00-4

Structural Information

Molecular Formula

C₁₅H₁₆N₂

SMILES

C1CN=C(N1)CCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C15H16N2/c1-2-7-14-12(4-1)5-3-6-13(14)8-9-15-16-10-11-17-15/h1-7H,8-11H2,(H,16,17)

InChIKey

FSAMTXDKVGGZLS-UHFFFAOYSA-N

Compound name

2-(2-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 224.13135 Da
Monoisotopic Mass: 2.4
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]+	225.138626	151.2
[M+Na]+	247.120568	158.3
[M-H]-	223.124074	154.3
[M+NH4]+	242.165173	168.5
[M+K]+	263.094508	152.5
[M+H-H2O]+	207.128610	142.6
[M+HCOO]-	269.129551	170.3
[M+CH3COO]-	283.145201	162.6
[M+Na-2H]-	245.106016	156.8
[M]+	224.13080142	148.3
[M]-	224.13189858	148.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.