CID 169501909

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-WCIBSUBMSA-N
Compound name
N-[5-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]furan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.0702 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.07748 155.0
[M+Na]+ 273.05942 162.2
[M+NH4]+ 268.10402 159.2
[M+K]+ 289.03336 163.5
[M-H]- 249.06292 156.0
[M+Na-2H]- 271.04487 156.9
[M]+ 250.06965 155.5
[M]- 250.07075 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.