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
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 152.8
[M+Na]+ 273.05942 160.2
[M-H]- 249.06292 158.3
[M+NH4]+ 268.10402 168.6
[M+K]+ 289.03336 159.2
[M+H-H2O]+ 233.06746 145.1
[M+HCOO]- 295.06840 176.2
[M+CH3COO]- 309.08405 194.7
[M+Na-2H]- 271.04487 154.7
[M]+ 250.06965 152.6
[M]- 250.07075 152.6
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.