CID 9570493

5-nitro-2-furaldehyde (methylaminoacetyl)hydrazone acetate

Structural Information

Molecular Formula
C8H10N4O4
SMILES
CNCC(=O)N/N=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C8H10N4O4/c1-9-5-7(13)11-10-4-6-2-3-8(16-6)12(14)15/h2-4,9H,5H2,1H3,(H,11,13)/b10-4+
InChIKey
FBGUPYLDDROUSF-ONNFQVAWSA-N
Compound name
2-(methylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.0702 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.07748 148.0
[M+Na]+ 249.05942 155.8
[M+NH4]+ 244.10402 153.5
[M+K]+ 265.03336 156.7
[M-H]- 225.06292 151.5
[M+Na-2H]- 247.04487 151.1
[M]+ 226.06965 149.4
[M]- 226.07075 149.4
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.