CID 3061550

79478-41-4

Structural Information

Molecular Formula

C₁₇H₁₄N₂O

SMILES

C1=CC=C(C=C1)C2(C(O2)N3C=CN=C3)C4=CC=CC=C4

InChI

InChI=1S/C17H14N2O/c1-3-7-14(8-4-1)17(15-9-5-2-6-10-15)16(20-17)19-12-11-18-13-19/h1-13,16H

InChIKey

LPIODRBNQNYRBK-UHFFFAOYSA-N

Compound name

1-(3,3-diphenyloxiran-2-yl)imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 262.11063 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]+	263.11791	160.2
[M+Na]+	285.09985	170.5
[M-H]-	261.10335	171.6
[M+NH4]+	280.14445	171.2
[M+K]+	301.07379	167.4
[M+H-H2O]+	245.10789	150.9
[M+HCOO]-	307.10883	182.7
[M+CH3COO]-	321.12448	172.5
[M+Na-2H]-	283.08530	166.9
[M]+	262.11008	162.9
[M]-	262.11118	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe