CID 210801

21662-82-8

Structural Information

Molecular Formula

C₂₂H₂₃ClN₂O₂

SMILES

CC1(C(=O)C2=CC=CC=C2C1=O)CCN3CCN(CC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H23ClN2O2/c1-22(20(26)16-6-2-3-7-17(16)21(22)27)10-11-24-12-14-25(15-13-24)19-9-5-4-8-18(19)23/h2-9H,10-15H2,1H3

InChIKey

OKCLHDJYSHIIMU-UHFFFAOYSA-N

Compound name

2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-2-methylindene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 382.1448 Da
Monoisotopic Mass: 4.4
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]+	383.152076	193.5
[M+Na]+	405.134018	201.8
[M-H]-	381.137524	200.8
[M+NH4]+	400.178623	207.9
[M+K]+	421.107958	194.0
[M+H-H2O]+	365.142060	183.3
[M+HCOO]-	427.143001	204.5
[M+CH3COO]-	441.158651	202.7
[M+Na-2H]-	403.119466	192.3
[M]+	382.14425142	193.2
[M]-	382.14534858	193.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.