CID 208911

Efetozole

Structural Information

Molecular Formula

C₁₂H₁₄N₂

SMILES

CC1=NC=CN1C(C)C2=CC=CC=C2

InChI

InChI=1S/C12H14N2/c1-10(12-6-4-3-5-7-12)14-9-8-13-11(14)2/h3-10H,1-2H3

InChIKey

CILDGVODBJAMGO-UHFFFAOYSA-N

Compound name

2-methyl-1-(1-phenylethyl)imidazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 46
Patents: 186.11569 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]+	187.122966	140.9
[M+Na]+	209.104908	149.1
[M-H]-	185.108414	145.2
[M+NH4]+	204.149513	159.8
[M+K]+	225.078848	146.1
[M+H-H2O]+	169.112950	132.8
[M+HCOO]-	231.113891	163.2
[M+CH3COO]-	245.129541	183.3
[M+Na-2H]-	207.090356	145.6
[M]+	186.11514142	140.9
[M]-	186.11623858	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe