CID 786944

4-methoxy-n-methyl-3-nitrobenzamide

Structural Information

Molecular Formula
C9H10N2O4
SMILES
CNC(=O)C1=CC(=C(C=C1)OC)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O4/c1-10-9(12)6-3-4-8(15-2)7(5-6)11(13)14/h3-5H,1-2H3,(H,10,12)
InChIKey
SUAZPYJJKLOXQK-UHFFFAOYSA-N
Compound name
4-methoxy-N-methyl-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

210.06406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.071336 141.3
[M+Na]+ 233.053278 148.3
[M-H]- 209.056784 145.5
[M+NH4]+ 228.097883 159.1
[M+K]+ 249.027218 143.5
[M+H-H2O]+ 193.061320 139.6
[M+HCOO]- 255.062261 167.6
[M+CH3COO]- 269.077911 182.8
[M+Na-2H]- 231.038726 148.2
[M]+ 210.06351142 141.4
[M]- 210.06460858 141.4
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

patents stripe