CID 40202

2,2-diphenylacetic acid 2-morpholinoethyl ester

Structural Information

Molecular Formula

C₂₀H₂₃NO₃

SMILES

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

InChI

InChI=1S/C20H23NO3/c22-20(24-16-13-21-11-14-23-15-12-21)19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19H,11-16H2

InChIKey

ZPOROEBGHMWWDI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 325.1678 Da
Monoisotopic Mass: 3.1
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]+	326.175076	178.5
[M+Na]+	348.157018	180.2
[M-H]-	324.160524	185.4
[M+NH4]+	343.201623	188.1
[M+K]+	364.130958	177.8
[M+H-H2O]+	308.165060	167.8
[M+HCOO]-	370.166001	194.3
[M+CH3COO]-	384.181651	206.0
[M+Na-2H]-	346.142466	181.0
[M]+	325.16725142	175.7
[M]-	325.16834858	175.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.