CID 710712

N-(4-acetylphenyl)-3-nitrobenzamide

Structural Information

Molecular Formula
C15H12N2O4
SMILES
CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H12N2O4/c1-10(18)11-5-7-13(8-6-11)16-15(19)12-3-2-4-14(9-12)17(20)21/h2-9H,1H3,(H,16,19)
InChIKey
GLOBABIVZZHEBA-UHFFFAOYSA-N
Compound name
N-(4-acetylphenyl)-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

284.0797 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08698 161.7
[M+Na]+ 307.06892 167.0
[M-H]- 283.07242 168.5
[M+NH4]+ 302.11352 175.7
[M+K]+ 323.04286 160.2
[M+H-H2O]+ 267.07696 158.2
[M+HCOO]- 329.07790 186.5
[M+CH3COO]- 343.09355 196.6
[M+Na-2H]- 305.05437 167.0
[M]+ 284.07915 160.0
[M]- 284.08025 160.0
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

No patent data available for this compound.