CID 133621

Imiloxan hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₂

SMILES

CCN1C=CN=C1CC2COC3=CC=CC=C3O2

InChI

InChI=1S/C14H16N2O2/c1-2-16-8-7-15-14(16)9-11-10-17-12-5-3-4-6-13(12)18-11/h3-8,11H,2,9-10H2,1H3

InChIKey

UXABARREKCJULM-UHFFFAOYSA-N

Compound name

2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 69
References: 455
Patents: 244.12119 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]+	245.12847	155.0
[M+Na]+	267.11041	163.0
[M-H]-	243.11391	160.8
[M+NH4]+	262.15501	169.8
[M+K]+	283.08435	161.6
[M+H-H2O]+	227.11845	146.6
[M+HCOO]-	289.11939	173.0
[M+CH3COO]-	303.13504	167.2
[M+Na-2H]-	265.09586	160.8
[M]+	244.12064	156.5
[M]-	244.12174	156.5

Literature stripe

literature stripe

Patent stripe

patents stripe