CID 4436

Naphazoline

Structural Information

Molecular Formula

C₁₄H₁₄N₂

SMILES

C1CN=C(N1)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)

InChIKey

CNIIGCLFLJGOGP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 468
References: 25940
Patents: 210.11569 Da
Monoisotopic Mass: 2.1
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]+	211.12297	146.6
[M+Na]+	233.10491	154.2
[M-H]-	209.10841	149.9
[M+NH4]+	228.14951	164.6
[M+K]+	249.07885	148.6
[M+H-H2O]+	193.11295	138.2
[M+HCOO]-	255.11389	166.1
[M+CH3COO]-	269.12954	158.5
[M+Na-2H]-	231.09036	152.8
[M]+	210.11514	143.4
[M]-	210.11624	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe