CID 844036

Chembl188734

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

8
References

9
Patents

233.04366 Da
Monoisotopic Mass

1.6
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.