CID 58544

2-(alpha-naphthyloxy)methylimidazoline hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₄N₂O

SMILES

C1CN=C(N1)COC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C14H14N2O/c1-2-6-12-11(4-1)5-3-7-13(12)17-10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)

InChIKey

REQHONMNWKPBNA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 226.11061 Da
Monoisotopic Mass: 2.2
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]+	227.117886	149.8
[M+Na]+	249.099828	157.2
[M-H]-	225.103334	153.0
[M+NH4]+	244.144433	166.9
[M+K]+	265.073768	152.2
[M+H-H2O]+	209.107870	141.2
[M+HCOO]-	271.108811	169.4
[M+CH3COO]-	285.124461	161.4
[M+Na-2H]-	247.085276	155.9
[M]+	226.11006142	147.9
[M]-	226.11115858	147.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.