CID 6604200

Nitrofurantoin

Structural Information

Molecular Formula
C8H6N4O5
SMILES
C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+
InChIKey
NXFQHRVNIOXGAQ-YCRREMRBSA-N
Compound name
1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

3017
References

38817
Patents

238.03381 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04109 146.7
[M+Na]+ 261.02303 153.9
[M-H]- 237.02653 152.3
[M+NH4]+ 256.06763 162.2
[M+K]+ 276.99697 149.1
[M+H-H2O]+ 221.03107 143.8
[M+HCOO]- 283.03201 171.2
[M+CH3COO]- 297.04766 182.9
[M+Na-2H]- 259.00848 152.7
[M]+ 238.03326 144.6
[M]- 238.03436 144.6
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.