CID 37303

Rad 244

Structural Information

Molecular Formula

C₁₅H₂₄N₂O

SMILES

CCCCN(C)CC(=O)NC1=C(C=CC=C1C)C

InChI

InChI=1S/C15H24N2O/c1-5-6-10-17(4)11-14(18)16-15-12(2)8-7-9-13(15)3/h7-9H,5-6,10-11H2,1-4H3,(H,16,18)

InChIKey

HEWBPNKHSQSAGG-UHFFFAOYSA-N

Compound name

2-[butyl(methyl)amino]-N-(2,6-dimethylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 248.18886 Da
Monoisotopic Mass: 2.8
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]+	249.19614	162.0
[M+Na]+	271.17808	167.2
[M-H]-	247.18158	166.7
[M+NH4]+	266.22268	179.8
[M+K]+	287.15202	165.6
[M+H-H2O]+	231.18612	154.7
[M+HCOO]-	293.18706	186.5
[M+CH3COO]-	307.20271	206.4
[M+Na-2H]-	269.16353	164.1
[M]+	248.18831	164.6
[M]-	248.18941	164.6

Literature stripe

literature stripe

Patent stripe

patents stripe