CID 169501837

Pipamperone metabolite m-iii

Structural Information

Molecular Formula

C₂₁H₂₈FN₃O₂

SMILES

C1CN(CC=C1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N

InChI

InChI=1S/C21H28FN3O2/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/h1-2,6-9H,3-5,10-16H2,(H2,23,27)

InChIKey

DHSLAGBUNPNZEE-UHFFFAOYSA-N

Compound name

4-(3,6-dihydro-2H-pyridin-1-yl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 373.21655 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]+	374.223826	192.0
[M+Na]+	396.205768	193.5
[M-H]-	372.209274	195.0
[M+NH4]+	391.250373	201.3
[M+K]+	412.179708	188.6
[M+H-H2O]+	356.213810	180.0
[M+HCOO]-	418.214751	203.5
[M+CH3COO]-	432.230401	219.1
[M+Na-2H]-	394.191216	190.1
[M]+	373.21600142	183.2
[M]-	373.21709858	183.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.