CID 6870931

N'-(3-pyridinylmethylene)benzohydrazide

Structural Information

Molecular Formula

C₁₃H₁₁N₃O

SMILES

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

InChI

InChI=1S/C13H11N3O/c17-13(12-6-2-1-3-7-12)16-15-10-11-5-4-8-14-9-11/h1-10H,(H,16,17)/b15-10+

InChIKey

JCVMRRDGCPODBY-XNTDXEJSSA-N

Compound name

N-[(E)-pyridin-3-ylmethylideneamino]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 2
Patents: 225.09021 Da
Monoisotopic Mass: 1.5
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]+	226.09749	150.4
[M+Na]+	248.07943	163.6
[M+NH4]+	243.12403	158.4
[M+K]+	264.05337	155.9
[M-H]-	224.08293	155.4
[M+Na-2H]-	246.06488	160.8
[M]+	225.08966	153.5
[M]-	225.09076	153.5

Literature stripe

literature stripe

Patent stripe

patents stripe