CID 9570365

Nifurimide

Structural Information

Molecular Formula
C9H10N4O4
SMILES
CC1CN(C(=O)N1)/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C9H10N4O4/c1-6-5-12(9(14)11-6)10-4-7-2-3-8(17-7)13(15)16/h2-4,6H,5H2,1H3,(H,11,14)/b10-4+
InChIKey
BJUPUKIYTMVLCW-ONNFQVAWSA-N
Compound name
4-methyl-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1254
Patents

238.0702 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.077476 149.8
[M+Na]+ 261.059418 156.6
[M-H]- 237.062924 155.3
[M+NH4]+ 256.104023 165.6
[M+K]+ 277.033358 151.6
[M+H-H2O]+ 221.067460 146.9
[M+HCOO]- 283.068401 173.6
[M+CH3COO]- 297.084051 184.7
[M+Na-2H]- 259.044866 155.0
[M]+ 238.06965142 147.5
[M]- 238.07074858 147.5
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.