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]+ 263.06624 155.1
[M+Na]+ 285.04818 161.4
[M-H]- 261.05168 163.0
[M+NH4]+ 280.09278 170.6
[M+K]+ 301.02212 156.8
[M+H-H2O]+ 245.05622 152.4
[M+HCOO]- 307.05716 181.7
[M+CH3COO]- 321.07281 189.9
[M+Na-2H]- 283.03363 162.0
[M]+ 262.05841 156.3
[M]- 262.05951 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.