CID 3039788

Brn 2886310

Structural Information

Molecular Formula

C₁₉H₃₃N₃O

SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(CN(C)C(C)C)N(C)C(C)C

InChI

InChI=1S/C19H33N3O/c1-13(2)21(7)12-17(22(8)14(3)4)19(23)20-18-15(5)10-9-11-16(18)6/h9-11,13-14,17H,12H2,1-8H3,(H,20,23)

InChIKey

GANOAUNHAMJDSY-UHFFFAOYSA-N

Compound name

N-(2,6-dimethylphenyl)-2,3-bis[methyl(propan-2-yl)amino]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 319.26236 Da
Monoisotopic Mass: 3.6
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]+	320.269636	185.1
[M+Na]+	342.251578	187.2
[M-H]-	318.255084	190.7
[M+NH4]+	337.296183	200.0
[M+K]+	358.225518	187.9
[M+H-H2O]+	302.259620	176.9
[M+HCOO]-	364.260561	206.7
[M+CH3COO]-	378.276211	229.6
[M+Na-2H]-	340.237026	181.0
[M]+	319.26181142	187.8
[M]-	319.26290858	187.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.