CID 205361

2-(cyclopentylmethylamino)ethyl benzilate

Structural Information

Molecular Formula

C₂₂H₂₇NO₃

SMILES

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

InChI

InChI=1S/C22H27NO3/c1-23(20-14-8-9-15-20)16-17-26-21(24)22(25,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,20,25H,8-9,14-17H2,1H3

InChIKey

NYJXQBWDAHRYQB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 353.1991 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]+	354.206376	186.1
[M+Na]+	376.188318	187.2
[M-H]-	352.191824	194.3
[M+NH4]+	371.232923	199.1
[M+K]+	392.162258	184.2
[M+H-H2O]+	336.196360	177.3
[M+HCOO]-	398.197301	205.2
[M+CH3COO]-	412.212951	213.9
[M+Na-2H]-	374.173766	186.9
[M]+	353.19855142	184.2
[M]-	353.19964858	184.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.