CID 2747

Cibenzoline

Structural Information

Molecular Formula

C₁₈H₁₈N₂

SMILES

C1CN=C(N1)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C18H18N2/c1-3-7-14(8-4-1)18(15-9-5-2-6-10-15)13-16(18)17-19-11-12-20-17/h1-10,16H,11-13H2,(H,19,20)

InChIKey

IPOBOOXFSRWSHL-UHFFFAOYSA-N

Compound name

2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 335
References: 1972
Patents: 262.147 Da
Monoisotopic Mass: 2.7
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]+	263.15428	161.0
[M+Na]+	285.13622	169.5
[M-H]-	261.13972	169.9
[M+NH4]+	280.18082	172.5
[M+K]+	301.11016	163.8
[M+H-H2O]+	245.14426	152.0
[M+HCOO]-	307.14520	181.3
[M+CH3COO]-	321.16085	171.9
[M+Na-2H]-	283.12167	165.5
[M]+	262.14645	159.1
[M]-	262.14755	159.1

Literature stripe

literature stripe

Patent stripe

patents stripe