CID 169501855

Pipamperone metabolite m-ii

Structural Information

Molecular Formula

C₂₁H₃₂FN₃O₂

SMILES

C1CCN(CC1)C2(CCN(CC2)CCCC(C3=CC=C(C=C3)F)O)C(=O)N

InChI

InChI=1S/C21H32FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-9,19,26H,1-5,10-16H2,(H2,23,27)

InChIKey

FKFWAMUREQWAEQ-UHFFFAOYSA-N

Compound name

1-[4-(4-fluorophenyl)-4-hydroxybutyl]-4-piperidin-1-ylpiperidine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 377.24786 Da
Monoisotopic Mass: 1.9
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]+	378.255136	194.2
[M+Na]+	400.237078	194.0
[M-H]-	376.240584	195.4
[M+NH4]+	395.281683	202.7
[M+K]+	416.211018	189.1
[M+H-H2O]+	360.245120	182.7
[M+HCOO]-	422.246061	202.6
[M+CH3COO]-	436.261711	217.9
[M+Na-2H]-	398.222526	191.0
[M]+	377.24731142	183.0
[M]-	377.24840858	183.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.