CID 3057080

Brn 5057468

Structural Information

Molecular Formula

C₁₉H₁₈N₂O

SMILES

CC(CN1C=CN=C1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H18N2O/c1-15(13-21-12-11-20-14-21)19(22)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-12,14-15H,13H2,1H3

InChIKey

OBLKRNUJHYLHHD-UHFFFAOYSA-N

Compound name

3-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 290.1419 Da
Monoisotopic Mass: 3.5
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]+	291.14918	169.1
[M+Na]+	313.13112	175.2
[M-H]-	289.13462	175.9
[M+NH4]+	308.17572	182.7
[M+K]+	329.10506	170.2
[M+H-H2O]+	273.13916	158.9
[M+HCOO]-	335.14010	189.6
[M+CH3COO]-	349.15575	179.8
[M+Na-2H]-	311.11657	171.0
[M]+	290.14135	168.8
[M]-	290.14245	168.8

Literature stripe

literature stripe

Patent stripe

patents stripe