CID 375095

Nsc654107

Structural Information

Molecular Formula

C₁₁H₈N₂O₂

SMILES

C1=CC(=CN=C1)C(=O)N=CC2=CC=CO2

InChI

InChI=1S/C11H8N2O2/c14-11(9-3-1-5-12-7-9)13-8-10-4-2-6-15-10/h1-8H

InChIKey

PGQBLUPACRLFJC-UHFFFAOYSA-N

Compound name

N-(furan-2-ylmethylidene)pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 200.05858 Da
Monoisotopic Mass: 1.4
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]+	201.065856	141.0
[M+Na]+	223.047798	148.9
[M-H]-	199.051304	148.6
[M+NH4]+	218.092403	159.3
[M+K]+	239.021738	148.0
[M+H-H2O]+	183.055840	133.2
[M+HCOO]-	245.056781	167.4
[M+CH3COO]-	259.072431	184.9
[M+Na-2H]-	221.033246	148.6
[M]+	200.05803142	142.8
[M]-	200.05912858	142.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.