CID 55544

86746-02-3

Structural Information

Molecular Formula

C₁₈H₂₈N₂O₃

SMILES

CC1=CC(=C(C(=C1)C)OCC(=O)NCCCN2CCOCC2)C

InChI

InChI=1S/C18H28N2O3/c1-14-11-15(2)18(16(3)12-14)23-13-17(21)19-5-4-6-20-7-9-22-10-8-20/h11-12H,4-10,13H2,1-3H3,(H,19,21)

InChIKey

SNKYGYKTKPGOCQ-UHFFFAOYSA-N

Compound name

N-(3-morpholin-4-ylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 320.21 Da
Monoisotopic Mass: 2.4
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]+	321.217276	180.6
[M+Na]+	343.199218	184.2
[M-H]-	319.202724	185.3
[M+NH4]+	338.243823	191.8
[M+K]+	359.173158	182.4
[M+H-H2O]+	303.207260	171.2
[M+HCOO]-	365.208201	197.8
[M+CH3COO]-	379.223851	211.8
[M+Na-2H]-	341.184666	181.3
[M]+	320.20945142	181.2
[M]-	320.21054858	181.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe