CID 798858

Chembl364195

Structural Information

Molecular Formula
C10H7N3O4
SMILES
C1=CN=CC=C1NC(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C10H7N3O4/c14-10(12-7-3-5-11-6-4-7)8-1-2-9(17-8)13(15)16/h1-6H,(H,11,12,14)
InChIKey
NPHVAXHCDBAVFL-UHFFFAOYSA-N
Compound name
5-nitro-N-pyridin-4-ylfuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

233.04366 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.05094 146.1
[M+Na]+ 256.03288 152.5
[M-H]- 232.03638 152.7
[M+NH4]+ 251.07748 161.2
[M+K]+ 272.00682 147.7
[M+H-H2O]+ 216.04092 142.7
[M+HCOO]- 278.04186 172.0
[M+CH3COO]- 292.05751 183.2
[M+Na-2H]- 254.01833 154.8
[M]+ 233.04311 145.2
[M]- 233.04421 145.2
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

patents stripe