CID 710698

N-(2-methoxy-5-nitrophenyl)furan-2-carboxamide

Structural Information

Molecular Formula
C12H10N2O5
SMILES
COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CO2
InChI
InChI=1S/C12H10N2O5/c1-18-10-5-4-8(14(16)17)7-9(10)13-12(15)11-3-2-6-19-11/h2-7H,1H3,(H,13,15)
InChIKey
WOPZPUPZCZSCPU-UHFFFAOYSA-N
Compound name
N-(2-methoxy-5-nitrophenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

262.05896 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.066236 155.1
[M+Na]+ 285.048178 161.4
[M-H]- 261.051684 163.0
[M+NH4]+ 280.092783 170.6
[M+K]+ 301.022118 156.8
[M+H-H2O]+ 245.056220 152.4
[M+HCOO]- 307.057161 181.7
[M+CH3COO]- 321.072811 189.9
[M+Na-2H]- 283.033626 162.0
[M]+ 262.05841142 156.3
[M]- 262.05950858 156.3
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

No patent data available for this compound.