CID 7079

92-16-0

Structural Information

Molecular Formula

C₁₆H₁₅NO₃

SMILES

COC1=CC=CC=C1NC(=O)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H15NO3/c1-20-15-10-6-5-9-13(15)17-16(19)11-14(18)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19)

InChIKey

FTYSHTGKLFLKRX-UHFFFAOYSA-N

Compound name

N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 52
Patents: 269.1052 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	270.11248	161.1
[M+Na]+	292.09442	166.7
[M-H]-	268.09792	167.6
[M+NH4]+	287.13902	176.5
[M+K]+	308.06836	163.9
[M+H-H2O]+	252.10246	152.9
[M+HCOO]-	314.10340	184.9
[M+CH3COO]-	328.11905	199.6
[M+Na-2H]-	290.07987	165.3
[M]+	269.10465	162.0
[M]-	269.10575	162.0

Literature stripe

literature stripe

Patent stripe

patents stripe