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]+ 249.050596 149.9
[M+Na]+ 271.032538 156.1
[M-H]- 247.036044 156.6
[M+NH4]+ 266.077143 165.2
[M+K]+ 287.006478 150.9
[M+H-H2O]+ 231.040580 147.6
[M+HCOO]- 293.041521 175.4
[M+CH3COO]- 307.057171 184.3
[M+Na-2H]- 269.017986 157.0
[M]+ 248.04277142 148.9
[M]- 248.04386858 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

literature stripe

Patent stripe

patents stripe