CID 28792

17822-58-1

Structural Information

Molecular Formula

C₂₄H₃₁NO₂

SMILES

CCN(CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C24H31NO2/c1-2-25(22-16-10-5-11-17-22)18-19-27-24(26)23(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-4,6-9,12-15,22-23H,2,5,10-11,16-19H2,1H3

InChIKey

NARLHODMHOCKII-UHFFFAOYSA-N

Compound name

2-[cyclohexyl(ethyl)amino]ethyl 2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 365.23547 Da
Monoisotopic Mass: 5.6
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]+	366.242746	192.3
[M+Na]+	388.224688	191.3
[M-H]-	364.228194	200.4
[M+NH4]+	383.269293	203.2
[M+K]+	404.198628	188.1
[M+H-H2O]+	348.232730	181.5
[M+HCOO]-	410.233671	210.2
[M+CH3COO]-	424.249321	221.3
[M+Na-2H]-	386.210136	191.6
[M]+	365.23492142	188.9
[M]-	365.23601858	188.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.