CID 78169

4433-78-7

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₃

SMILES

CC(=O)CC(=O)NC1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C12H14N2O3/c1-8(15)7-12(17)14-11-5-3-10(4-6-11)13-9(2)16/h3-6H,7H2,1-2H3,(H,13,16)(H,14,17)

InChIKey

PNVSDRLLBNUJBE-UHFFFAOYSA-N

Compound name

N-(4-acetamidophenyl)-3-oxobutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 234.10045 Da
Monoisotopic Mass: 0.7
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	153.4
[M+Na]+	257.08967	162.2
[M+NH4]+	252.13427	159.1
[M+K]+	273.06361	158.2
[M-H]-	233.09317	154.2
[M+Na-2H]-	255.07512	157.6
[M]+	234.09990	154.4
[M]-	234.10100	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe