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 161.2
[M+Na]+ 304.10162 164.9
[M-H]- 280.10512 166.9
[M+NH4]+ 299.14622 173.4
[M+K]+ 320.07556 160.5
[M+H-H2O]+ 264.10966 156.4
[M+HCOO]- 326.11060 183.8
[M+CH3COO]- 340.12625 196.7
[M+Na-2H]- 302.08707 167.2
[M]+ 281.11185 157.4
[M]- 281.11295 157.4
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.