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 193.5
[M+Na]+ 405.13402 201.8
[M-H]- 381.13752 200.8
[M+NH4]+ 400.17862 207.9
[M+K]+ 421.10796 194.0
[M+H-H2O]+ 365.14206 183.3
[M+HCOO]- 427.14300 204.5
[M+CH3COO]- 441.15865 202.7
[M+Na-2H]- 403.11947 192.3
[M]+ 382.14425 193.2
[M]- 382.14535 193.2
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.