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 145.9
[M+Na]+ 249.05942 151.0
[M-H]- 225.06292 151.6
[M+NH4]+ 244.10402 162.9
[M+K]+ 265.03336 147.5
[M+H-H2O]+ 209.06746 143.0
[M+HCOO]- 271.06840 175.7
[M+CH3COO]- 285.08405 189.7
[M+Na-2H]- 247.04487 154.4
[M]+ 226.06965 145.7
[M]- 226.07075 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.