CID 71314334

1330172-81-0

Structural Information

Molecular Formula

C₁₈H₃₀N₂O

SMILES

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

InChI

InChI=1S/C18H30N2O/c1-4-5-13-19-14-8-6-7-12-17(21)20-18-15(2)10-9-11-16(18)3/h9-11,19H,4-8,12-14H2,1-3H3,(H,20,21)

InChIKey

KXUVXFMERBRLDR-UHFFFAOYSA-N

Compound name

6-(butylamino)-N-(2,6-dimethylphenyl)hexanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 290.2358 Da
Monoisotopic Mass: 3.7
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]+	291.243076	175.4
[M+Na]+	313.225018	179.1
[M-H]-	289.228524	177.9
[M+NH4]+	308.269623	190.7
[M+K]+	329.198958	175.3
[M+H-H2O]+	273.233060	167.6
[M+HCOO]-	335.234001	198.3
[M+CH3COO]-	349.249651	212.0
[M+Na-2H]-	311.210466	176.6
[M]+	290.23525142	177.8
[M]-	290.23634858	177.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe