CID 3022741

93859-42-8

Structural Information

Molecular Formula

C₂₀H₂₈N₂

SMILES

CC1=C(C(=CC=C1)CC2=CC(=C(C(=C2)C(C)C)N)C(C)C)N

InChI

InChI=1S/C20H28N2/c1-12(2)17-10-15(11-18(13(3)4)20(17)22)9-16-8-6-7-14(5)19(16)21/h6-8,10-13H,9,21-22H2,1-5H3

InChIKey

MDKBDEDSAWACFL-UHFFFAOYSA-N

Compound name

4-[(2-amino-3-methylphenyl)methyl]-2,6-di(propan-2-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 296.22525 Da
Monoisotopic Mass: 5.1
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]+	297.232526	176.7
[M+Na]+	319.214468	183.2
[M-H]-	295.217974	182.9
[M+NH4]+	314.259073	191.8
[M+K]+	335.188408	178.4
[M+H-H2O]+	279.222510	169.0
[M+HCOO]-	341.223451	197.8
[M+CH3COO]-	355.239101	216.4
[M+Na-2H]-	317.199916	174.0
[M]+	296.22470142	175.3
[M]-	296.22579858	175.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe