CID 12254548

Methanone, di-2-quinolinyl-

Structural Information

Molecular Formula

C₁₉H₁₂N₂O

SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C19H12N2O/c22-19(17-11-9-13-5-1-3-7-15(13)20-17)18-12-10-14-6-2-4-8-16(14)21-18/h1-12H

InChIKey

GEADAXSXHKZLPU-UHFFFAOYSA-N

Compound name

di(quinolin-2-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 110
Patents: 284.09497 Da
Monoisotopic Mass: 4.5
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]+	285.10225	164.7
[M+Na]+	307.08419	184.0
[M+NH4]+	302.12879	174.5
[M+K]+	323.05813	173.8
[M-H]-	283.08769	170.8
[M+Na-2H]-	305.06964	176.5
[M]+	284.09442	169.6
[M]-	284.09552	169.6

Literature stripe

literature stripe

Patent stripe

patents stripe