CID 9554232

Nifurpipone

Structural Information

Molecular Formula
C12H17N5O4
SMILES
CN1CCN(CC1)CC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C12H17N5O4/c1-15-4-6-16(7-5-15)9-11(18)14-13-8-10-2-3-12(21-10)17(19)20/h2-3,8H,4-7,9H2,1H3,(H,14,18)/b13-8+
InChIKey
FHHFNHFFCVLLHX-MDWZMJQESA-N
Compound name
2-(4-methylpiperazin-1-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

28
Patents

295.12805 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13533 164.8
[M+Na]+ 318.11727 173.2
[M+NH4]+ 313.16187 169.7
[M+K]+ 334.09121 174.0
[M-H]- 294.12077 168.8
[M+Na-2H]- 316.10272 168.0
[M]+ 295.12750 166.4
[M]- 295.12860 166.4
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

patents stripe