CID 289455

2-(4-nitrobenzoyl)acet-o-anisidide

Structural Information

Molecular Formula
C16H14N2O5
SMILES
COC1=CC=CC=C1NC(=O)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H14N2O5/c1-23-15-5-3-2-4-13(15)17-16(20)10-14(19)11-6-8-12(9-7-11)18(21)22/h2-9H,10H2,1H3,(H,17,20)
InChIKey
JLPNCNGMAGPLBG-UHFFFAOYSA-N
Compound name
N-(2-methoxyphenyl)-3-(4-nitrophenyl)-3-oxopropanamide
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 169.1
[M+Na]+ 337.07949 181.4
[M+NH4]+ 332.12409 175.0
[M+K]+ 353.05343 178.6
[M-H]- 313.08299 173.4
[M+Na-2H]- 335.06494 176.0
[M]+ 314.08972 171.7
[M]- 314.09082 171.7
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.