CID 6869162

Nicotinic acid benzylidene-hydrazide

Structural Information

Molecular Formula

C₁₃H₁₁N₃O

SMILES

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

InChI

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

InChIKey

BAZGGMGNEFKCHN-OQLLNIDSSA-N

Compound name

N-[(E)-benzylideneamino]pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 225.09021 Da
Monoisotopic Mass: 1.8
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	148.6
[M+Na]+	248.07943	154.7
[M-H]-	224.08293	155.0
[M+NH4]+	243.12403	164.8
[M+K]+	264.05337	151.4
[M+H-H2O]+	208.08747	139.5
[M+HCOO]-	270.08841	175.2
[M+CH3COO]-	284.10406	193.9
[M+Na-2H]-	246.06488	157.5
[M]+	225.08966	147.5
[M]-	225.09076	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe