CID 198379

1-(4-(3-chlorophenyl)-1-(3-(4-methyl-1-piperazinyl)propyl)-4-piperidinyl)1-propanone 3hcl

Structural Information

Molecular Formula

C₂₂H₃₄ClN₃O

SMILES

CCC(=O)C1(CCN(CC1)CCCN2CCN(CC2)C)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H34ClN3O/c1-3-21(27)22(19-6-4-7-20(23)18-19)8-12-25(13-9-22)10-5-11-26-16-14-24(2)15-17-26/h4,6-7,18H,3,5,8-17H2,1-2H3

InChIKey

ZLGRUKDDVLYXSO-UHFFFAOYSA-N

Compound name

1-[4-(3-chlorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-yl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 391.23904 Da
Monoisotopic Mass: 2.2
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]+	392.246316	198.8
[M+Na]+	414.228258	201.2
[M-H]-	390.231764	201.6
[M+NH4]+	409.272863	207.9
[M+K]+	430.202198	194.8
[M+H-H2O]+	374.236300	186.9
[M+HCOO]-	436.237241	203.7
[M+CH3COO]-	450.252891	220.4
[M+Na-2H]-	412.213706	196.0
[M]+	391.23849142	194.3
[M]-	391.23958858	194.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.