CID 172931277

N-acetylnitrofurantoin

Structural Information

Molecular Formula

C₁₀H₁₀N₄O₄

SMILES

CC(=O)NC1=CC=C(O1)/C=N/N2CC(=O)NC2=O

InChI

InChI=1S/C10H10N4O4/c1-6(15)12-9-3-2-7(18-9)4-11-14-5-8(16)13-10(14)17/h2-4H,5H2,1H3,(H,12,15)(H,13,16,17)/b11-4+

InChIKey

IDKKDUCQSZWNPB-NYYWCZLTSA-N

Compound name

N-[5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]furan-2-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 250.0702 Da
Monoisotopic Mass: -1.1
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]+	251.077476	152.8
[M+Na]+	273.059418	160.2
[M-H]-	249.062924	158.3
[M+NH4]+	268.104023	168.6
[M+K]+	289.033358	159.2
[M+H-H2O]+	233.067460	145.1
[M+HCOO]-	295.068401	176.2
[M+CH3COO]-	309.084051	194.7
[M+Na-2H]-	271.044866	154.7
[M]+	250.06965142	152.6
[M]-	250.07074858	152.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.