CID 3011945

Chembl366113

Structural Information

Molecular Formula
C11H8N2O5
SMILES
C1=CC(=CC(=C1)O)NC(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C11H8N2O5/c14-8-3-1-2-7(6-8)12-11(15)9-4-5-10(18-9)13(16)17/h1-6,14H,(H,12,15)
InChIKey
XWRUNKZSDSHSSK-UHFFFAOYSA-N
Compound name
N-(3-hydroxyphenyl)-5-nitrofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

248.04332 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.05060 149.9
[M+Na]+ 271.03254 156.1
[M-H]- 247.03604 156.6
[M+NH4]+ 266.07714 165.2
[M+K]+ 287.00648 150.9
[M+H-H2O]+ 231.04058 147.6
[M+HCOO]- 293.04152 175.4
[M+CH3COO]- 307.05717 184.3
[M+Na-2H]- 269.01799 157.0
[M]+ 248.04277 148.9
[M]- 248.04387 148.9
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.