CID 16729502

N-(benzenecarboximidoyl)furan-3-carboxamide

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₂

SMILES

C1=CC=C(C=C1)C(=NC(=O)C2=COC=C2)N

InChI

InChI=1S/C12H10N2O2/c13-11(9-4-2-1-3-5-9)14-12(15)10-6-7-16-8-10/h1-8H,(H2,13,14,15)

InChIKey

DWOPFBGJAQQZLH-UHFFFAOYSA-N

Compound name

N-[amino(phenyl)methylidene]furan-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 214.07423 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]+	215.081506	147.1
[M+Na]+	237.063448	153.3
[M-H]-	213.066954	155.5
[M+NH4]+	232.108053	165.4
[M+K]+	253.037388	152.3
[M+H-H2O]+	197.071490	139.7
[M+HCOO]-	259.072431	173.8
[M+CH3COO]-	273.088081	190.5
[M+Na-2H]-	235.048896	152.3
[M]+	214.07368142	146.3
[M]-	214.07477858	146.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.