CID 328820

1-(5-methyl-2-phenyl-1h-imidazol-4-yl)ethan-1-one

Structural Information

Molecular Formula

C₁₂H₁₂N₂O

SMILES

CC1=C(N=C(N1)C2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C12H12N2O/c1-8-11(9(2)15)14-12(13-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,14)

InChIKey

RAFHDKLDMHYNOT-UHFFFAOYSA-N

Compound name

1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 22
Patents: 200.09496 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]+	201.10224	143.6
[M+Na]+	223.08418	152.5
[M-H]-	199.08768	147.0
[M+NH4]+	218.12878	161.3
[M+K]+	239.05812	148.5
[M+H-H2O]+	183.09222	136.0
[M+HCOO]-	245.09316	164.8
[M+CH3COO]-	259.10881	183.0
[M+Na-2H]-	221.06963	147.1
[M]+	200.09441	142.9
[M]-	200.09551	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe