CID 481488

Chembl65408

Structural Information

Molecular Formula

C₁₉H₁₆ClNO₂

SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)NCCC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C19H16ClNO2/c20-16-7-5-13(6-8-16)9-10-21-19(23)17-11-14-3-1-2-4-15(14)12-18(17)22/h1-8,11-12,22H,9-10H2,(H,21,23)

InChIKey

AWDPSKHWWLVOBV-UHFFFAOYSA-N

Compound name

N-[2-(4-chlorophenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 325.08694 Da
Monoisotopic Mass: 5.2
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	174.0
[M+Na]+	348.076158	182.0
[M-H]-	324.079664	180.1
[M+NH4]+	343.120763	189.0
[M+K]+	364.050098	175.0
[M+H-H2O]+	308.084200	166.7
[M+HCOO]-	370.085141	191.0
[M+CH3COO]-	384.100791	184.8
[M+Na-2H]-	346.061606	178.7
[M]+	325.08639142	176.1
[M]-	325.08748858	176.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.