CID 210631

2-(cyclopentylethylamino)ethyl benzilate

Structural Information

Molecular Formula

C₂₃H₂₉NO₃

SMILES

CCN(CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)C3CCCC3

InChI

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

InChIKey

RAUDLHKOCJXRDT-UHFFFAOYSA-N

Compound name

2-[cyclopentyl(ethyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
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	190.6
[M+Na]+	390.203968	191.2
[M-H]-	366.207474	198.6
[M+NH4]+	385.248573	203.0
[M+K]+	406.177908	188.0
[M+H-H2O]+	350.212010	181.5
[M+HCOO]-	412.212951	209.4
[M+CH3COO]-	426.228601	216.9
[M+Na-2H]-	388.189416	190.9
[M]+	367.21420142	189.1
[M]-	367.21529858	189.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.