CID 711510

N-(2-ethoxyphenyl)-3-nitrobenzamide

Structural Information

Molecular Formula
C15H14N2O4
SMILES
CCOC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H14N2O4/c1-2-21-14-9-4-3-8-13(14)16-15(18)11-6-5-7-12(10-11)17(19)20/h3-10H,2H2,1H3,(H,16,18)
InChIKey
BXBOJEDXEBZWNC-UHFFFAOYSA-N
Compound name
N-(2-ethoxyphenyl)-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.09537 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.102646 163.2
[M+Na]+ 309.084588 168.4
[M-H]- 285.088094 169.9
[M+NH4]+ 304.129193 177.2
[M+K]+ 325.058528 161.7
[M+H-H2O]+ 269.092630 159.4
[M+HCOO]- 331.093571 188.8
[M+CH3COO]- 345.109221 196.8
[M+Na-2H]- 307.070036 169.6
[M]+ 286.09482142 162.8
[M]- 286.09591858 162.8
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.