CID 9568055

Nifuradene

Structural Information

Molecular Formula
C8H8N4O4
SMILES
C1CN(C(=O)N1)/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C8H8N4O4/c13-8-9-3-4-11(8)10-5-6-1-2-7(16-6)12(14)15/h1-2,5H,3-4H2,(H,9,13)/b10-5+
InChIKey
VSVAVMVWTLLTCH-BJMVGYQFSA-N
Compound name
1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2010
Patents

224.05455 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06183 144.9
[M+Na]+ 247.04377 151.2
[M-H]- 223.04727 150.1
[M+NH4]+ 242.08837 160.9
[M+K]+ 263.01771 146.5
[M+H-H2O]+ 207.05181 141.7
[M+HCOO]- 269.05275 169.0
[M+CH3COO]- 283.06840 180.5
[M+Na-2H]- 245.02922 151.2
[M]+ 224.05400 141.8
[M]- 224.05510 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe