CID 618231

15469-97-3

Structural Information

Molecular Formula

C₂₂H₁₈N₂

SMILES

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

InChI

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

InChIKey

NPZDCTUDQYGYQD-UHFFFAOYSA-N

Compound name

1-tritylimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1063
Patents: 310.147 Da
Monoisotopic Mass: 4.4
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	174.2
[M+Na]+	333.136218	180.2
[M-H]-	309.139724	183.6
[M+NH4]+	328.180823	186.3
[M+K]+	349.110158	173.3
[M+H-H2O]+	293.144260	163.0
[M+HCOO]-	355.145201	194.6
[M+CH3COO]-	369.160851	184.6
[M+Na-2H]-	331.121666	180.4
[M]+	310.14645142	171.7
[M]-	310.14754858	171.7

Literature stripe

literature stripe

Patent stripe

patents stripe