CID 48078

Acetic acid, 2-chloro-2,2-diphenyl-, (2-morpholinoethyl) ester, hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₂ClNO₃

SMILES

C1COCCN1CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)Cl

InChI

InChI=1S/C20H22ClNO3/c21-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19(23)25-16-13-22-11-14-24-15-12-22/h1-10H,11-16H2

InChIKey

UKPCFJNIYAYAEO-UHFFFAOYSA-N

Compound name

2-morpholin-4-ylethyl 2-chloro-2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 359.1288 Da
Monoisotopic Mass: 3.6
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]+	360.136076	184.5
[M+Na]+	382.118018	187.7
[M-H]-	358.121524	191.5
[M+NH4]+	377.162623	193.8
[M+K]+	398.091958	183.7
[M+H-H2O]+	342.126060	174.6
[M+HCOO]-	404.127001	195.1
[M+CH3COO]-	418.142651	209.1
[M+Na-2H]-	380.103466	188.6
[M]+	359.12825142	184.3
[M]-	359.12934858	184.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.