CID 9570499

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

Structural Information

Molecular Formula
C11H16N4O4
SMILES
CCCCNCC(=O)N/N=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C11H16N4O4/c1-2-3-6-12-8-10(16)14-13-7-9-4-5-11(19-9)15(17)18/h4-5,7,12H,2-3,6,8H2,1H3,(H,14,16)/b13-7+
InChIKey
VVTCGYMUPZCHRW-NTUHNPAUSA-N
Compound name
2-(butylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.11716 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12444 161.3
[M+Na]+ 291.10638 168.4
[M+NH4]+ 286.15098 166.3
[M+K]+ 307.08032 168.7
[M-H]- 267.10988 164.7
[M+Na-2H]- 289.09183 163.7
[M]+ 268.11661 162.5
[M]- 268.11771 162.5
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.