CID 12056811

Refchem:452168

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₂

SMILES

CCC1=CC(=CC(=C1C(C(=O)N)C(=O)N)CC)C

InChI

InChI=1S/C14H20N2O2/c1-4-9-6-8(3)7-10(5-2)11(9)12(13(15)17)14(16)18/h6-7,12H,4-5H2,1-3H3,(H2,15,17)(H2,16,18)

InChIKey

MBCOLUIVZSFWBX-UHFFFAOYSA-N

Compound name

2-(2,6-diethyl-4-methylphenyl)propanediamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 248.15248 Da
Monoisotopic Mass: 1.8
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]+	249.159756	160.1
[M+Na]+	271.141698	166.2
[M-H]-	247.145204	163.0
[M+NH4]+	266.186303	176.6
[M+K]+	287.115638	163.8
[M+H-H2O]+	231.149740	153.5
[M+HCOO]-	293.150681	181.5
[M+CH3COO]-	307.166331	203.8
[M+Na-2H]-	269.127146	158.1
[M]+	248.15193142	159.0
[M]-	248.15302858	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe