CID 71101

Amiperone

Structural Information

Molecular Formula

C₂₄H₂₈ClFN₂O₂

SMILES

CN(C)C(=O)C1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H28ClFN2O2/c1-27(2)23(30)24(19-7-9-20(25)10-8-19)13-16-28(17-14-24)15-3-4-22(29)18-5-11-21(26)12-6-18/h5-12H,3-4,13-17H2,1-2H3

InChIKey

WMVSIGOLIQMRHF-UHFFFAOYSA-N

Compound name

4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-N,N-dimethylpiperidine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 44
Patents: 430.18234 Da
Monoisotopic Mass: 3.5
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]+	431.189616	203.2
[M+Na]+	453.171558	207.4
[M-H]-	429.175064	210.0
[M+NH4]+	448.216163	214.0
[M+K]+	469.145498	201.8
[M+H-H2O]+	413.179600	192.3
[M+HCOO]-	475.180541	214.6
[M+CH3COO]-	489.196191	232.2
[M+Na-2H]-	451.157006	200.9
[M]+	430.18179142	202.9
[M]-	430.18288858	202.9

Literature stripe

literature stripe

Patent stripe

patents stripe