CID 206904

4-piperidinol, 5-morpholinomethyl-4-phenyl-1,2,5-trimethyl-, acetate, dihydrochloride

Structural Information

Molecular Formula

C₂₁H₃₂N₂O₃

SMILES

CC1CC(C(CN1C)(C)CN2CCOCC2)(C3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C21H32N2O3/c1-17-14-21(26-18(2)24,19-8-6-5-7-9-19)20(3,15-22(17)4)16-23-10-12-25-13-11-23/h5-9,17H,10-16H2,1-4H3

InChIKey

RFCKSFMQECQRFH-UHFFFAOYSA-N

Compound name

[1,2,5-trimethyl-5-(morpholin-4-ylmethyl)-4-phenylpiperidin-4-yl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 360.2413 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]+	361.248576	189.6
[M+Na]+	383.230518	193.0
[M-H]-	359.234024	195.6
[M+NH4]+	378.275123	201.4
[M+K]+	399.204458	191.4
[M+H-H2O]+	343.238560	179.1
[M+HCOO]-	405.239501	200.4
[M+CH3COO]-	419.255151	214.7
[M+Na-2H]-	381.215966	190.0
[M]+	360.24075142	186.2
[M]-	360.24184858	186.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.