CID 3011949

Chembl361712

Structural Information

Molecular Formula
C13H12N2O5
SMILES
CN(C1=CC=C(C=C1)OC)C(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C13H12N2O5/c1-14(9-3-5-10(19-2)6-4-9)13(16)11-7-8-12(20-11)15(17)18/h3-8H,1-2H3
InChIKey
OASWEMRNXLSGOO-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-N-methyl-5-nitrofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.07462 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08190 160.3
[M+Na]+ 299.06384 166.3
[M-H]- 275.06734 169.5
[M+NH4]+ 294.10844 175.8
[M+K]+ 315.03778 162.9
[M+H-H2O]+ 259.07188 157.3
[M+HCOO]- 321.07282 187.0
[M+CH3COO]- 335.08847 196.4
[M+Na-2H]- 297.04929 165.9
[M]+ 276.07407 163.0
[M]- 276.07517 163.0
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.