CID 3060900

Urea, 1-butyl-3-(2-furoyl)-

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₃

SMILES

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

InChI

InChI=1S/C10H14N2O3/c1-2-3-6-11-10(14)12-9(13)8-5-4-7-15-8/h4-5,7H,2-3,6H2,1H3,(H2,11,12,13,14)

InChIKey

ODDMOEUFWQJITO-UHFFFAOYSA-N

Compound name

N-(butylcarbamoyl)furan-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 210.10045 Da
Monoisotopic Mass: 1.7
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]+	211.107726	148.6
[M+Na]+	233.089668	153.7
[M-H]-	209.093174	152.6
[M+NH4]+	228.134273	166.9
[M+K]+	249.063608	153.8
[M+H-H2O]+	193.097710	141.8
[M+HCOO]-	255.098651	173.6
[M+CH3COO]-	269.114301	188.3
[M+Na-2H]-	231.075116	152.9
[M]+	210.09990142	149.8
[M]-	210.10099858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe