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 160.2
[M+Na]+ 291.10638 163.9
[M-H]- 267.10988 165.3
[M+NH4]+ 286.15098 175.5
[M+K]+ 307.08032 159.8
[M+H-H2O]+ 251.11442 156.7
[M+HCOO]- 313.11536 189.0
[M+CH3COO]- 327.13101 198.9
[M+Na-2H]- 289.09183 167.2
[M]+ 268.11661 161.0
[M]- 268.11771 161.0
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.