CID 6806747

Nsc610054

Structural Information

Molecular Formula

C₁₃H₁₁N₃O₂

SMILES

C1=CC=C(C(=C1)C(=O)N/N=C/C2=CC=CC=N2)O

InChI

InChI=1S/C13H11N3O2/c17-12-7-2-1-6-11(12)13(18)16-15-9-10-5-3-4-8-14-10/h1-9,17H,(H,16,18)/b15-9+

InChIKey

DLWUZZMMXCRNMJ-OQLLNIDSSA-N

Compound name

2-hydroxy-N-[(E)-pyridin-2-ylmethylideneamino]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 241.08513 Da
Monoisotopic Mass: 2.3
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]+	242.092406	152.0
[M+Na]+	264.074348	158.6
[M-H]-	240.077854	157.5
[M+NH4]+	259.118953	167.1
[M+K]+	280.048288	155.0
[M+H-H2O]+	224.082390	143.2
[M+HCOO]-	286.083331	177.4
[M+CH3COO]-	300.098981	194.7
[M+Na-2H]-	262.059796	159.7
[M]+	241.08458142	150.9
[M]-	241.08567858	150.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.