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]+ 227.077476 145.9
[M+Na]+ 249.059418 151.0
[M-H]- 225.062924 151.6
[M+NH4]+ 244.104023 162.9
[M+K]+ 265.033358 147.5
[M+H-H2O]+ 209.067460 143.0
[M+HCOO]- 271.068401 175.7
[M+CH3COO]- 285.084051 189.7
[M+Na-2H]- 247.044866 154.4
[M]+ 226.06965142 145.7
[M]- 226.07074858 145.7
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.