CID 481491

Chembl61847

Structural Information

Molecular Formula

C₁₉H₁₆ClNO₂

SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H16ClNO2/c1-23-18-11-15-5-3-2-4-14(15)10-17(18)19(22)21-12-13-6-8-16(20)9-7-13/h2-11H,12H2,1H3,(H,21,22)

InChIKey

VGOMFNBWNCJTJD-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)methyl]-3-methoxynaphthalene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 325.08694 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]+	326.094216	174.3
[M+Na]+	348.076158	182.8
[M-H]-	324.079664	181.8
[M+NH4]+	343.120763	190.0
[M+K]+	364.050098	176.5
[M+H-H2O]+	308.084200	166.6
[M+HCOO]-	370.085141	192.8
[M+CH3COO]-	384.100791	210.2
[M+Na-2H]-	346.061606	179.4
[M]+	325.08639142	178.1
[M]-	325.08748858	178.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.