CID 756083

N-(3,4-dimethylphenyl)-5-nitro-2-furamide

Structural Information

Molecular Formula
C13H12N2O4
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])C
InChI
InChI=1S/C13H12N2O4/c1-8-3-4-10(7-9(8)2)14-13(16)11-5-6-12(19-11)15(17)18/h3-7H,1-2H3,(H,14,16)
InChIKey
AIKWXLXBZBWITR-UHFFFAOYSA-N
Compound name
N-(3,4-dimethylphenyl)-5-nitrofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

260.0797 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08698 157.0
[M+Na]+ 283.06892 164.1
[M-H]- 259.07242 165.2
[M+NH4]+ 278.11352 173.1
[M+K]+ 299.04286 158.7
[M+H-H2O]+ 243.07696 154.7
[M+HCOO]- 305.07790 183.2
[M+CH3COO]- 319.09355 191.9
[M+Na-2H]- 281.05437 162.6
[M]+ 260.07915 157.7
[M]- 260.08025 157.7
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.