CID 5469562

Isonicotinic acid, 2-thenylidenehydrazide

Structural Information

Molecular Formula

C₁₁H₉N₃OS

SMILES

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

InChI

InChI=1S/C11H9N3OS/c15-11(9-3-5-12-6-4-9)14-13-8-10-2-1-7-16-10/h1-8H,(H,14,15)/b13-8+

InChIKey

VQHKTXKJAYPSHY-MDWZMJQESA-N

Compound name

N-[(E)-thiophen-2-ylmethylideneamino]pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 5
Patents: 231.04663 Da
Monoisotopic Mass: 2.1
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]+	232.05391	149.0
[M+Na]+	254.03585	156.6
[M-H]-	230.03935	156.1
[M+NH4]+	249.08045	167.7
[M+K]+	270.00979	153.1
[M+H-H2O]+	214.04389	140.9
[M+HCOO]-	276.04483	172.0
[M+CH3COO]-	290.06048	191.5
[M+Na-2H]-	252.02130	153.4
[M]+	231.04608	150.4
[M]-	231.04718	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe