CID 114477

13222-16-7

Structural Information

Molecular Formula

C₂₂H₄₄N₂O₂

SMILES

CCCCC(CC)C(=O)NCCCCCCNC(=O)C(CC)CCCC

InChI

InChI=1S/C22H44N2O2/c1-5-9-15-19(7-3)21(25)23-17-13-11-12-14-18-24-22(26)20(8-4)16-10-6-2/h19-20H,5-18H2,1-4H3,(H,23,25)(H,24,26)

InChIKey

XZVMGPSLFYINSC-UHFFFAOYSA-N

Compound name

2-ethyl-N-[6-(2-ethylhexanoylamino)hexyl]hexanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 368.34027 Da
Monoisotopic Mass: 6.0
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]+	369.347546	205.2
[M+Na]+	391.329488	203.8
[M-H]-	367.332994	202.7
[M+NH4]+	386.374093	216.9
[M+K]+	407.303428	201.2
[M+H-H2O]+	351.337530	197.0
[M+HCOO]-	413.338471	222.6
[M+CH3COO]-	427.354121	229.1
[M+Na-2H]-	389.314936	199.2
[M]+	368.33972142	209.6
[M]-	368.34081858	209.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.