CID 3059678

76981-46-9

Structural Information

Molecular Formula

C₁₆H₁₅NO₃

SMILES

CC(C(=O)N)OC1=CC=CC(=C1)C(=O)C2=CC=CC=C2

InChI

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

InChIKey

XARXYPIHZCPATG-UHFFFAOYSA-N

Compound name

2-(3-benzoylphenoxy)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.1052 Da
Monoisotopic Mass: 2.6
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]+	270.112476	161.6
[M+Na]+	292.094418	166.8
[M-H]-	268.097924	167.6
[M+NH4]+	287.139023	176.6
[M+K]+	308.068358	164.2
[M+H-H2O]+	252.102460	153.6
[M+HCOO]-	314.103401	183.7
[M+CH3COO]-	328.119051	200.6
[M+Na-2H]-	290.079866	163.5
[M]+	269.10465142	161.0
[M]-	269.10574858	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.