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

1231
Patents

238.0702 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.07748 149.8
[M+Na]+ 261.05942 156.6
[M-H]- 237.06292 155.3
[M+NH4]+ 256.10402 165.6
[M+K]+ 277.03336 151.6
[M+H-H2O]+ 221.06746 146.9
[M+HCOO]- 283.06840 173.6
[M+CH3COO]- 297.08405 184.7
[M+Na-2H]- 259.04487 155.0
[M]+ 238.06965 147.5
[M]- 238.07075 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.