CID 779741

313981-44-1

Structural Information

Molecular Formula
C13H12N2O5
SMILES
COC1=CC=CC=C1CNC(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C13H12N2O5/c1-19-10-5-3-2-4-9(10)8-14-13(16)11-6-7-12(20-11)15(17)18/h2-7H,8H2,1H3,(H,14,16)
InChIKey
VZQIZHBNJHJIOR-UHFFFAOYSA-N
Compound name
N-[(2-methoxyphenyl)methyl]-5-nitrofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

276.07462 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08190 160.0
[M+Na]+ 299.06384 165.8
[M-H]- 275.06734 167.8
[M+NH4]+ 294.10844 174.9
[M+K]+ 315.03778 161.0
[M+H-H2O]+ 259.07188 157.1
[M+HCOO]- 321.07282 186.3
[M+CH3COO]- 335.08847 192.9
[M+Na-2H]- 297.04929 166.4
[M]+ 276.07407 161.5
[M]- 276.07517 161.5
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.