CID 481493

Chembl305579

Structural Information

Molecular Formula

C₁₇H₁₂ClNO₂

SMILES

C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H12ClNO2/c18-12-6-8-13(9-7-12)19-17(21)15-10-5-11-3-1-2-4-14(11)16(15)20/h1-10,20H,(H,19,21)

InChIKey

DMQGAZLVAUUHLW-UHFFFAOYSA-N

Compound name

N-(4-chlorophenyl)-1-hydroxynaphthalene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 297.05566 Da
Monoisotopic Mass: 4.8
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]+	298.06294	164.7
[M+Na]+	320.04488	173.7
[M-H]-	296.04838	171.3
[M+NH4]+	315.08948	180.9
[M+K]+	336.01882	167.1
[M+H-H2O]+	280.05292	157.9
[M+HCOO]-	342.05386	182.5
[M+CH3COO]-	356.06951	176.5
[M+Na-2H]-	318.03033	170.6
[M]+	297.05511	166.2
[M]-	297.05621	166.2

Literature stripe

literature stripe

Patent stripe

patents stripe