CID 556235

789-58-2

Structural Information

Molecular Formula

C₁₆H₁₂N₂O

SMILES

C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC=CC=N3)O

InChI

InChI=1S/C16H12N2O/c19-15-9-8-12-5-1-2-6-13(12)14(15)11-18-16-7-3-4-10-17-16/h1-11,19H

InChIKey

VXEIALPYLNOWSH-UHFFFAOYSA-N

Compound name

1-(pyridin-2-yliminomethyl)naphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 248.09496 Da
Monoisotopic Mass: 3.4
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]+	249.10224	156.0
[M+Na]+	271.08418	172.4
[M+NH4]+	266.12878	165.5
[M+K]+	287.05812	163.0
[M-H]-	247.08768	162.0
[M+Na-2H]-	269.06963	166.9
[M]+	248.09441	160.2
[M]-	248.09551	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe