CID 9570392

Brn 0894983

Structural Information

Molecular Formula
C11H15N5O4
SMILES
C1CN(CCN1)CC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C11H15N5O4/c17-10(8-15-5-3-12-4-6-15)14-13-7-9-1-2-11(20-9)16(18)19/h1-2,7,12H,3-6,8H2,(H,14,17)/b13-7+
InChIKey
WPBSQIMKZPFDNV-NTUHNPAUSA-N
Compound name
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-piperazin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 159.6
[M+Na]+ 304.10162 161.8
[M-H]- 280.10512 163.5
[M+NH4]+ 299.14622 170.8
[M+K]+ 320.07556 156.7
[M+H-H2O]+ 264.10966 154.7
[M+HCOO]- 326.11060 180.8
[M+CH3COO]- 340.12625 193.7
[M+Na-2H]- 302.08707 166.1
[M]+ 281.11185 153.8
[M]- 281.11295 153.8
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.