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
1
Annotation Hits

0
References

8
Patents

226.03381 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04109 143.5
[M+Na]+ 249.02303 148.8
[M-H]- 225.02653 149.0
[M+NH4]+ 244.06763 160.0
[M+K]+ 264.99697 145.7
[M+H-H2O]+ 209.03107 140.7
[M+HCOO]- 271.03201 172.4
[M+CH3COO]- 285.04766 187.4
[M+Na-2H]- 247.00848 150.5
[M]+ 226.03326 141.8
[M]- 226.03436 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