CID 2378

Bifonazole

Structural Information

Molecular Formula

C₂₂H₁₈N₂

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=CC=C3)N4C=CN=C4

InChI

InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H

InChIKey

OCAPBUJLXMYKEJ-UHFFFAOYSA-N

Compound name

1-[phenyl-(4-phenylphenyl)methyl]imidazole

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 384
References: 17651
Patents: 310.147 Da
Monoisotopic Mass: 4.8
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]+	311.154276	174.1
[M+Na]+	333.136218	180.3
[M-H]-	309.139724	183.6
[M+NH4]+	328.180823	186.3
[M+K]+	349.110158	173.3
[M+H-H2O]+	293.144260	162.7
[M+HCOO]-	355.145201	195.2
[M+CH3COO]-	369.160851	184.5
[M+Na-2H]-	331.121666	177.7
[M]+	310.14645142	171.9
[M]-	310.14754858	171.9

Literature stripe

literature stripe

Patent stripe

patents stripe