CID 13483

2-(diethylamino)ethyl 2-chloro-2,2-diphenylacetate

Structural Information

Molecular Formula

C₂₀H₂₄ClNO₂

SMILES

CCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)Cl

InChI

InChI=1S/C20H24ClNO2/c1-3-22(4-2)15-16-24-19(23)20(21,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3

InChIKey

ZASSLOPXOOJHFR-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 2-chloro-2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 124
Patents: 345.14957 Da
Monoisotopic Mass: 3.9
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]+	346.156846	184.0
[M+Na]+	368.138788	188.5
[M-H]-	344.142294	190.8
[M+NH4]+	363.183393	197.9
[M+K]+	384.112728	184.1
[M+H-H2O]+	328.146830	175.9
[M+HCOO]-	390.147771	201.3
[M+CH3COO]-	404.163421	215.6
[M+Na-2H]-	366.124236	187.5
[M]+	345.14902142	189.0
[M]-	345.15011858	189.0

Literature stripe

literature stripe

Patent stripe

patents stripe