CID 9570495

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

Structural Information

Molecular Formula
C9H12N4O4
SMILES
CCNCC(=O)N/N=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C9H12N4O4/c1-2-10-6-8(14)12-11-5-7-3-4-9(17-7)13(15)16/h3-5,10H,2,6H2,1H3,(H,12,14)/b11-5+
InChIKey
FDXVUVFWQKABIW-VZUCSPMQSA-N
Compound name
2-(ethylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.08586 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09314 150.7
[M+Na]+ 263.07508 155.3
[M-H]- 239.07858 156.2
[M+NH4]+ 258.11968 167.2
[M+K]+ 279.04902 151.6
[M+H-H2O]+ 223.08312 147.6
[M+HCOO]- 285.08406 180.2
[M+CH3COO]- 299.09971 192.8
[M+Na-2H]- 261.06053 158.7
[M]+ 240.08531 150.8
[M]- 240.08641 150.8
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

No patent data available for this compound.