CID 124655

Schembl1232177

Structural Information

Molecular Formula

C₁₄H₁₆N₂

SMILES

C1CC(=CC2=CC=CC=C21)CC3=NCNC3

InChI

InChI=1S/C14H16N2/c1-2-4-13-7-11(5-6-12(13)3-1)8-14-9-15-10-16-14/h1-4,7,15H,5-6,8-10H2

InChIKey

DZUCCHIIOCXBTD-UHFFFAOYSA-N

Compound name

4-(3,4-dihydronaphthalen-2-ylmethyl)-2,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 160
Patents: 212.13135 Da
Monoisotopic Mass: 1.6
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]+	213.138626	148.1
[M+Na]+	235.120568	154.7
[M-H]-	211.124074	151.0
[M+NH4]+	230.165173	165.9
[M+K]+	251.094508	149.3
[M+H-H2O]+	195.128610	139.7
[M+HCOO]-	257.129551	166.2
[M+CH3COO]-	271.145201	159.4
[M+Na-2H]-	233.106016	153.2
[M]+	212.13080142	143.4
[M]-	212.13189858	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe