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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.15208 191.6
[M+Na]+ 405.13402 206.6
[M+NH4]+ 400.17862 201.2
[M+K]+ 421.10796 197.0
[M-H]- 381.13752 196.9
[M+Na-2H]- 403.11947 199.6
[M]+ 382.14425 195.7
[M]- 382.14535 195.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.