CID 3046478

N-methyl-n-(2-furoyl)urea

Structural Information

Molecular Formula

C₇H₈N₂O₃

SMILES

CNC(=O)NC(=O)C1=CC=CO1

InChI

InChI=1S/C7H8N2O3/c1-8-7(11)9-6(10)5-3-2-4-12-5/h2-4H,1H3,(H2,8,9,10,11)

InChIKey

USSJRFIQAVNEJX-UHFFFAOYSA-N

Compound name

N-(methylcarbamoyl)furan-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 168.0535 Da
Monoisotopic Mass: 0.4
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]+	169.060776	134.5
[M+Na]+	191.042718	140.9
[M-H]-	167.046224	139.0
[M+NH4]+	186.087323	154.5
[M+K]+	207.016658	141.7
[M+H-H2O]+	151.050760	128.3
[M+HCOO]-	213.051701	160.5
[M+CH3COO]-	227.067351	179.2
[M+Na-2H]-	189.028166	140.5
[M]+	168.05295142	134.7
[M]-	168.05404858	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe