CID 2736193

3,4-dimethoxy-6-nitrobenzamide

Structural Information

Molecular Formula
C9H10N2O5
SMILES
COC1=C(C=C(C(=C1)C(=O)N)[N+](=O)[O-])OC
InChI
InChI=1S/C9H10N2O5/c1-15-7-3-5(9(10)12)6(11(13)14)4-8(7)16-2/h3-4H,1-2H3,(H2,10,12)
InChIKey
KSBGGQRDBYVDSC-UHFFFAOYSA-N
Compound name
4,5-dimethoxy-2-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

226.05898 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.06626 143.8
[M+Na]+ 249.04820 151.5
[M-H]- 225.05170 147.8
[M+NH4]+ 244.09280 160.8
[M+K]+ 265.02214 147.0
[M+H-H2O]+ 209.05624 142.1
[M+HCOO]- 271.05718 169.7
[M+CH3COO]- 285.07283 186.2
[M+Na-2H]- 247.03365 149.3
[M]+ 226.05843 144.8
[M]- 226.05953 144.8
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