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

literature stripe

Patent stripe

patents stripe