CID 4830

Pipamperone

Structural Information

Molecular Formula

C₂₁H₃₀FN₃O₂

SMILES

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

InChI

InChI=1S/C21H30FN3O2/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/h6-9H,1-5,10-16H2,(H2,23,27)

InChIKey

AXKPFOAXAHJUAG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 120
References: 17079
Patents: 375.2322 Da
Monoisotopic Mass: 2.0
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]+	376.239476	193.3
[M+Na]+	398.221418	193.7
[M-H]-	374.224924	195.8
[M+NH4]+	393.266023	202.4
[M+K]+	414.195358	189.0
[M+H-H2O]+	358.229460	181.3
[M+HCOO]-	420.230401	203.3
[M+CH3COO]-	434.246051	219.5
[M+Na-2H]-	396.206866	190.3
[M]+	375.23165142	183.1
[M]-	375.23274858	183.1

Literature stripe

literature stripe

Patent stripe

patents stripe