CID 481484

Chembl304651

Structural Information

Molecular Formula

C₁₆H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C16H12N2O2/c19-15-9-12-5-2-1-4-11(12)8-14(15)16(20)18-13-6-3-7-17-10-13/h1-10,19H,(H,18,20)

InChIKey

FZFMNHRTFSTARO-UHFFFAOYSA-N

Compound name

3-hydroxy-N-pyridin-3-ylnaphthalene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 264.08987 Da
Monoisotopic Mass: 3.1
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]+	265.09715	158.0
[M+Na]+	287.07909	165.6
[M-H]-	263.08259	163.1
[M+NH4]+	282.12369	172.8
[M+K]+	303.05303	160.4
[M+H-H2O]+	247.08713	149.4
[M+HCOO]-	309.08807	179.2
[M+CH3COO]-	323.10372	169.4
[M+Na-2H]-	285.06454	165.7
[M]+	264.08932	156.7
[M]-	264.09042	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe