CID 9570503

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

Structural Information

Molecular Formula
C10H12N4O4
SMILES
C=CCNCC(=O)N/N=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C10H12N4O4/c1-2-5-11-7-9(15)13-12-6-8-3-4-10(18-8)14(16)17/h2-4,6,11H,1,5,7H2,(H,13,15)/b12-6+
InChIKey
VYNQBECRDBAZDJ-WUXMJOGZSA-N
Compound name
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(prop-2-enylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.08586 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09314 154.6
[M+Na]+ 275.07508 159.1
[M-H]- 251.07858 160.0
[M+NH4]+ 270.11968 170.5
[M+K]+ 291.04902 154.5
[M+H-H2O]+ 235.08312 151.4
[M+HCOO]- 297.08406 183.9
[M+CH3COO]- 311.09971 194.9
[M+Na-2H]- 273.06053 162.1
[M]+ 252.08531 154.4
[M]- 252.08641 154.4
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.