CID 691036

N-(4-ethylphenyl)-3-nitrobenzamide

Structural Information

Molecular Formula
C15H14N2O3
SMILES
CCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H14N2O3/c1-2-11-6-8-13(9-7-11)16-15(18)12-4-3-5-14(10-12)17(19)20/h3-10H,2H2,1H3,(H,16,18)
InChIKey
PZEDUAAQRVKPFO-UHFFFAOYSA-N
Compound name
N-(4-ethylphenyl)-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.10043 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10771 160.2
[M+Na]+ 293.08965 174.1
[M+NH4]+ 288.13425 168.0
[M+K]+ 309.06359 169.7
[M-H]- 269.09315 166.1
[M+Na-2H]- 291.07510 168.7
[M]+ 270.09988 163.7
[M]- 270.10098 163.7
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.