CID 9578414

1-piperazinecarboxylic acid, 4-methyl-, (5-nitrofurfurylidene)hydrazide

Structural Information

Molecular Formula
C11H15N5O4
SMILES
CN1CCN(CC1)C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C11H15N5O4/c1-14-4-6-15(7-5-14)11(17)13-12-8-9-2-3-10(20-9)16(18)19/h2-3,8H,4-7H2,1H3,(H,13,17)/b12-8+
InChIKey
ADWZJHNUKKEYJS-XYOKQWHBSA-N
Compound name
4-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.1124 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11968 160.6
[M+Na]+ 304.10162 169.2
[M+NH4]+ 299.14622 165.6
[M+K]+ 320.07556 170.2
[M-H]- 280.10512 164.6
[M+Na-2H]- 302.08707 164.0
[M]+ 281.11185 162.2
[M]- 281.11295 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.