CID 263200

N-(2-methoxy-5-nitrophenyl)-benzoylacetamide

Structural Information

Molecular Formula
C16H14N2O5
SMILES
COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H14N2O5/c1-23-15-8-7-12(18(21)22)9-13(15)17-16(20)10-14(19)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,17,20)
InChIKey
ZEAVQYGCBBNOHZ-UHFFFAOYSA-N
Compound name
N-(2-methoxy-5-nitrophenyl)-3-oxo-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.09027 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.09755 169.5
[M+Na]+ 337.07949 174.0
[M-H]- 313.08299 176.0
[M+NH4]+ 332.12409 182.0
[M+K]+ 353.05343 167.7
[M+H-H2O]+ 297.08753 165.4
[M+HCOO]- 359.08847 194.1
[M+CH3COO]- 373.10412 201.8
[M+Na-2H]- 335.06494 174.4
[M]+ 314.08972 169.4
[M]- 314.09082 169.4
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.