CID 163655

96222-01-4

Structural Information

Molecular Formula

C₂₁H₃₂N₂O₂

SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CCC3CCCCC3

InChI

InChI=1S/C21H32N2O2/c1-2-25-20-11-7-6-10-19(20)22-14-16-23(17-15-22)21(24)13-12-18-8-4-3-5-9-18/h6-7,10-11,18H,2-5,8-9,12-17H2,1H3

InChIKey

VVRJSSAKBZOXOJ-UHFFFAOYSA-N

Compound name

3-cyclohexyl-1-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 344.24637 Da
Monoisotopic Mass: 4.7
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]+	345.253646	188.1
[M+Na]+	367.235588	188.3
[M-H]-	343.239094	192.1
[M+NH4]+	362.280193	197.3
[M+K]+	383.209528	184.0
[M+H-H2O]+	327.243630	176.4
[M+HCOO]-	389.244571	199.5
[M+CH3COO]-	403.260221	212.0
[M+Na-2H]-	365.221036	186.0
[M]+	344.24582142	181.3
[M]-	344.24691858	181.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.