CID 309593

N-(4-nitrophenyl)-2-phenoxyacetamide

Structural Information

Molecular Formula
C14H12N2O4
SMILES
C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H12N2O4/c17-14(10-20-13-4-2-1-3-5-13)15-11-6-8-12(9-7-11)16(18)19/h1-9H,10H2,(H,15,17)
InChIKey
OPPGBYUDMBADNI-UHFFFAOYSA-N
Compound name
N-(4-nitrophenyl)-2-phenoxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

4
Patents

272.0797 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08698 158.5
[M+Na]+ 295.06892 163.2
[M-H]- 271.07242 164.9
[M+NH4]+ 290.11352 172.7
[M+K]+ 311.04286 156.6
[M+H-H2O]+ 255.07696 154.6
[M+HCOO]- 317.07790 184.4
[M+CH3COO]- 331.09355 192.7
[M+Na-2H]- 293.05437 166.0
[M]+ 272.07915 157.3
[M]- 272.08025 157.3
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