CID 98653

67728-26-1

Structural Information

Molecular Formula

C₁₇H₁₃ClN₂O₂

SMILES

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

InChI

InChI=1S/C17H13ClN2O2/c18-14-9-11(19)6-8-15(14)20-17(22)13-7-5-10-3-1-2-4-12(10)16(13)21/h1-9,21H,19H2,(H,20,22)

InChIKey

WCILLABDKIZPNK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 312.06656 Da
Monoisotopic Mass: 4.1
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]+	313.073836	169.5
[M+Na]+	335.055778	178.5
[M-H]-	311.059284	175.9
[M+NH4]+	330.100383	184.8
[M+K]+	351.029718	171.8
[M+H-H2O]+	295.063820	162.7
[M+HCOO]-	357.064761	187.6
[M+CH3COO]-	371.080411	180.8
[M+Na-2H]-	333.041226	174.1
[M]+	312.06601142	169.8
[M]-	312.06710858	169.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.