CID 843399

40891-23-4

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₃

SMILES

CC(=O)NC(C(=O)C1=CC=CC=C1)NC(=O)C

InChI

InChI=1S/C12H14N2O3/c1-8(15)13-12(14-9(2)16)11(17)10-6-4-3-5-7-10/h3-7,12H,1-2H3,(H,13,15)(H,14,16)

InChIKey

AJBTZVMOPNWPJO-UHFFFAOYSA-N

Compound name

N-(1-acetamido-2-oxo-2-phenylethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 234.10045 Da
Monoisotopic Mass: 0.4
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]+	235.10773	153.6
[M+Na]+	257.08967	161.6
[M+NH4]+	252.13427	159.2
[M+K]+	273.06361	158.3
[M-H]-	233.09317	154.1
[M+Na-2H]-	255.07512	157.7
[M]+	234.09990	154.3
[M]-	234.10100	154.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.