CID 16729507

N-[(pyridin-4-yl)methyl]furan-3-carboxamide

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₂

SMILES

C1=CN=CC=C1CNC(=O)C2=COC=C2

InChI

InChI=1S/C11H10N2O2/c14-11(10-3-6-15-8-10)13-7-9-1-4-12-5-2-9/h1-6,8H,7H2,(H,13,14)

InChIKey

JGUAGRTWVKMTMF-UHFFFAOYSA-N

Compound name

N-(pyridin-4-ylmethyl)furan-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 202.07423 Da
Monoisotopic Mass: 0.8
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]+	203.081506	142.1
[M+Na]+	225.063448	149.1
[M-H]-	201.066954	148.2
[M+NH4]+	220.108053	159.5
[M+K]+	241.037388	147.8
[M+H-H2O]+	185.071490	134.3
[M+HCOO]-	247.072431	166.7
[M+CH3COO]-	261.088081	183.8
[M+Na-2H]-	223.048896	149.2
[M]+	202.07368142	142.7
[M]-	202.07477858	142.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.