CID 454440

Bdbm1353

Structural Information

Molecular Formula

C₂₀H₁₆N₂O

SMILES

C1=CC=C2C=C(C=CC2=C1)CNC3=CC4=CC=CC=C4NC3=O

InChI

InChI=1S/C20H16N2O/c23-20-19(12-17-7-3-4-8-18(17)22-20)21-13-14-9-10-15-5-1-2-6-16(15)11-14/h1-12,21H,13H2,(H,22,23)

InChIKey

FUKBJBNZDPLOKS-UHFFFAOYSA-N

Compound name

3-(naphthalen-2-ylmethylamino)-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 300.12625 Da
Monoisotopic Mass: 4.3
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]+	301.13353	167.7
[M+Na]+	323.11547	177.0
[M-H]-	299.11897	173.8
[M+NH4]+	318.16007	182.2
[M+K]+	339.08941	169.0
[M+H-H2O]+	283.12351	158.2
[M+HCOO]-	345.12445	189.2
[M+CH3COO]-	359.14010	178.9
[M+Na-2H]-	321.10092	177.7
[M]+	300.12570	167.4
[M]-	300.12680	167.4

Literature stripe

literature stripe

Patent stripe

patents stripe