CID 3058962

Benzenebutanamide, 4-(acetylamino)-

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂

SMILES

CC(=O)NC1=CC=C(C=C1)CCCC(=O)N

InChI

InChI=1S/C12H16N2O2/c1-9(15)14-11-7-5-10(6-8-11)3-2-4-12(13)16/h5-8H,2-4H2,1H3,(H2,13,16)(H,14,15)

InChIKey

KFJFZZHQKFKWKB-UHFFFAOYSA-N

Compound name

4-(4-acetamidophenyl)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 220.12119 Da
Monoisotopic Mass: 0.8
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]+	221.128466	151.0
[M+Na]+	243.110408	156.3
[M-H]-	219.113914	153.9
[M+NH4]+	238.155013	168.4
[M+K]+	259.084348	154.1
[M+H-H2O]+	203.118450	144.1
[M+HCOO]-	265.119391	174.8
[M+CH3COO]-	279.135041	194.2
[M+Na-2H]-	241.095856	153.8
[M]+	220.12064142	149.9
[M]-	220.12173858	149.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.