CID 48086

66827-46-1

Structural Information

Molecular Formula

C₂₃H₂₉NO₃

SMILES

CC(C)(CN1CCOCC1)COC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H29NO3/c1-23(2,17-24-13-15-26-16-14-24)18-27-22(25)21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21H,13-18H2,1-2H3

InChIKey

IAGLOPOKOOHYOH-UHFFFAOYSA-N

Compound name

(2,2-dimethyl-3-morpholin-4-ylpropyl) 2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 367.21475 Da
Monoisotopic Mass: 4.3
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]+	368.222026	190.9
[M+Na]+	390.203968	191.7
[M-H]-	366.207474	197.5
[M+NH4]+	385.248573	198.9
[M+K]+	406.177908	189.3
[M+H-H2O]+	350.212010	180.3
[M+HCOO]-	412.212951	204.1
[M+CH3COO]-	426.228601	215.3
[M+Na-2H]-	388.189416	192.8
[M]+	367.21420142	188.7
[M]-	367.21529858	188.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.