CID 481482

Chembl63411

Structural Information

Molecular Formula

C₁₇H₁₄N₂O₂

SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=CC(=C3)N)O

InChI

InChI=1S/C17H14N2O2/c18-13-6-3-7-14(10-13)19-17(21)15-8-11-4-1-2-5-12(11)9-16(15)20/h1-10,20H,18H2,(H,19,21)

InChIKey

DAYJOJXHULTXLX-UHFFFAOYSA-N

Compound name

N-(3-aminophenyl)-3-hydroxynaphthalene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 23
Patents: 278.10553 Da
Monoisotopic Mass: 3.5
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]+	279.11281	161.9
[M+Na]+	301.09475	169.2
[M-H]-	277.09825	168.1
[M+NH4]+	296.13935	177.3
[M+K]+	317.06869	164.0
[M+H-H2O]+	261.10279	154.1
[M+HCOO]-	323.10373	184.6
[M+CH3COO]-	337.11938	173.2
[M+Na-2H]-	299.08020	167.8
[M]+	278.10498	159.3
[M]-	278.10608	159.3

Literature stripe

literature stripe

Patent stripe

patents stripe