CID 242638

Nsc54331

Structural Information

Molecular Formula

C₁₉H₁₄N₂O

SMILES

C1=CC=C2C(=C1)C=CC(=N2)CN3C(=O)C=CC4=CC=CC=C43

InChI

InChI=1S/C19H14N2O/c22-19-12-10-15-6-2-4-8-18(15)21(19)13-16-11-9-14-5-1-3-7-17(14)20-16/h1-12H,13H2

InChIKey

FETRXQRRTNJTRX-UHFFFAOYSA-N

Compound name

1-(quinolin-2-ylmethyl)quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 286.11063 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]+	287.117906	166.2
[M+Na]+	309.099848	177.2
[M-H]-	285.103354	172.4
[M+NH4]+	304.144453	180.9
[M+K]+	325.073788	169.8
[M+H-H2O]+	269.107890	155.6
[M+HCOO]-	331.108831	187.0
[M+CH3COO]-	345.124481	178.0
[M+Na-2H]-	307.085296	176.3
[M]+	286.11008142	168.2
[M]-	286.11117858	168.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe