CID 52538

Isostearamidopropyl morpholine

Structural Information

Molecular Formula

C₂₅H₅₀N₂O₂

SMILES

CC(C)CCCCCCCCCCCCCCC(=O)NCCCN1CCOCC1

InChI

InChI=1S/C25H50N2O2/c1-24(2)16-13-11-9-7-5-3-4-6-8-10-12-14-17-25(28)26-18-15-19-27-20-22-29-23-21-27/h24H,3-23H2,1-2H3,(H,26,28)

InChIKey

LJWPCXCFOGGBFK-UHFFFAOYSA-N

Compound name

16-methyl-N-(3-morpholin-4-ylpropyl)heptadecanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 51
Patents: 410.38724 Da
Monoisotopic Mass: 7.7
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]+	411.39452	216.0
[M+Na]+	433.37646	212.3
[M-H]-	409.37996	214.4
[M+NH4]+	428.42106	223.1
[M+K]+	449.35040	209.3
[M+H-H2O]+	393.38450	205.7
[M+HCOO]-	455.38544	228.2
[M+CH3COO]-	469.40109	231.9
[M+Na-2H]-	431.36191	211.4
[M]+	410.38669	218.5
[M]-	410.38779	218.5

Literature stripe

literature stripe

Patent stripe

patents stripe