CID 410345

102371-04-0

Structural Information

Molecular Formula

C₂₀H₃₁NO₃

SMILES

CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C2(CCCCC2)O

InChI

InChI=1S/C20H31NO3/c1-3-21(4-2)15-16-24-19(22)18(17-11-7-5-8-12-17)20(23)13-9-6-10-14-20/h5,7-8,11-12,18,23H,3-4,6,9-10,13-16H2,1-2H3

InChIKey

KTWQAWSQSOISLN-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 2-(1-hydroxycyclohexyl)-2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 333.2304 Da
Monoisotopic Mass: 4.0
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]+	334.237676	184.7
[M+Na]+	356.219618	184.9
[M-H]-	332.223124	189.1
[M+NH4]+	351.264223	199.0
[M+K]+	372.193558	183.3
[M+H-H2O]+	316.227660	176.5
[M+HCOO]-	378.228601	201.5
[M+CH3COO]-	392.244251	212.6
[M+Na-2H]-	354.205066	184.4
[M]+	333.22985142	182.7
[M]-	333.23094858	182.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.