CID 192635

2-phenyl-8-ethoxycycloheptimidazole

Structural Information

Molecular Formula

C₁₆H₁₄N₂O

SMILES

CCOC1=CC=CC=C2C1=NC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H14N2O/c1-2-19-14-11-7-6-10-13-15(14)18-16(17-13)12-8-4-3-5-9-12/h3-11H,2H2,1H3

InChIKey

OULXFNCZTZKFKS-UHFFFAOYSA-N

Compound name

4-ethoxy-2-phenylcyclohepta[d]imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 175
Patents: 250.11061 Da
Monoisotopic Mass: 3.3
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]+	251.11789	156.6
[M+Na]+	273.09983	170.3
[M+NH4]+	268.14443	164.8
[M+K]+	289.07377	165.1
[M-H]-	249.10333	160.4
[M+Na-2H]-	271.08528	165.7
[M]+	250.11006	159.9
[M]-	250.11116	159.9

Literature stripe

literature stripe

Patent stripe

patents stripe