CID 18637

Nifuraldezone

Structural Information

Molecular Formula
C7H6N4O5
SMILES
C1=C(OC(=C1)[N+](=O)[O-])C=NNC(=O)C(=O)N
InChI
InChI=1S/C7H6N4O5/c8-6(12)7(13)10-9-3-4-1-2-5(16-4)11(14)15/h1-3H,(H2,8,12)(H,10,13)
InChIKey
AJSKOLZKIUMPPG-UHFFFAOYSA-N
Compound name
N'-[(5-nitrofuran-2-yl)methylideneamino]oxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1113
Patents

226.03381 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.041086 143.5
[M+Na]+ 249.023028 148.8
[M-H]- 225.026534 149.0
[M+NH4]+ 244.067633 160.0
[M+K]+ 264.996968 145.7
[M+H-H2O]+ 209.031070 140.7
[M+HCOO]- 271.032011 172.4
[M+CH3COO]- 285.047661 187.4
[M+Na-2H]- 247.008476 150.5
[M]+ 226.03326142 141.8
[M]- 226.03435858 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

No literature data available for this compound.

Patent stripe

patents stripe