CID 292351

3'-nitro-2-benzoylacetanilide

Structural Information

Molecular Formula
C15H12N2O4
SMILES
C1=CC=C(C=C1)C(=O)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H12N2O4/c18-14(11-5-2-1-3-6-11)10-15(19)16-12-7-4-8-13(9-12)17(20)21/h1-9H,10H2,(H,16,19)
InChIKey
UUAFEFWRZSBGTL-UHFFFAOYSA-N
Compound name
N-(3-nitrophenyl)-3-oxo-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

284.0797 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08698 162.1
[M+Na]+ 307.06892 166.3
[M-H]- 283.07242 168.4
[M+NH4]+ 302.11352 175.6
[M+K]+ 323.04286 159.5
[M+H-H2O]+ 267.07696 158.3
[M+HCOO]- 329.07790 186.9
[M+CH3COO]- 343.09355 195.5
[M+Na-2H]- 305.05437 167.9
[M]+ 284.07915 159.9
[M]- 284.08025 159.9
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

patents stripe