CID 101777

2,4,5-triphenyl-2-imidazoline

Structural Information

Molecular Formula

C₂₁H₁₈N₂

SMILES

C1=CC=C(C=C1)C2C(N=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18/h1-15,19-20H,(H,22,23)

InChIKey

UCCFUHZMGXEALP-UHFFFAOYSA-N

Compound name

2,4,5-triphenyl-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 92
Patents: 298.147 Da
Monoisotopic Mass: 4.1
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]+	299.15428	170.7
[M+Na]+	321.13622	177.2
[M-H]-	297.13972	179.1
[M+NH4]+	316.18082	183.1
[M+K]+	337.11016	169.3
[M+H-H2O]+	281.14426	159.8
[M+HCOO]-	343.14520	190.3
[M+CH3COO]-	357.16085	180.9
[M+Na-2H]-	319.12167	173.9
[M]+	298.14645	166.1
[M]-	298.14755	166.1

Literature stripe

literature stripe

Patent stripe

patents stripe