CID 1999

Acetylpheneturide

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₃

SMILES

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

InChI

InChI=1S/C13H16N2O3/c1-3-11(10-7-5-4-6-8-10)12(17)15-13(18)14-9(2)16/h4-8,11H,3H2,1-2H3,(H2,14,15,16,17,18)

InChIKey

GBPZSCQLDXUGNO-UHFFFAOYSA-N

Compound name

N-(acetylcarbamoyl)-2-phenylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 1147
Patents: 248.11609 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]+	249.12337	158.3
[M+Na]+	271.10531	166.2
[M+NH4]+	266.14991	163.8
[M+K]+	287.07925	162.6
[M-H]-	247.10881	158.8
[M+Na-2H]-	269.09076	162.1
[M]+	248.11554	159.0
[M]-	248.11664	159.0

Literature stripe

literature stripe

Patent stripe

patents stripe