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]+ 285.086976 161.7
[M+Na]+ 307.068918 167.0
[M-H]- 283.072424 168.5
[M+NH4]+ 302.113523 175.7
[M+K]+ 323.042858 160.2
[M+H-H2O]+ 267.076960 158.2
[M+HCOO]- 329.077901 186.5
[M+CH3COO]- 343.093551 196.6
[M+Na-2H]- 305.054366 167.0
[M]+ 284.07915142 160.0
[M]- 284.08024858 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.