CID 3088496

1h-isoindole-1,3(2h)-dione, 2-(2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C20H20ClN3O2
SMILES
C1CN(CCN1CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H20ClN3O2/c21-15-5-7-16(8-6-15)23-12-9-22(10-13-23)11-14-24-19(25)17-3-1-2-4-18(17)20(24)26/h1-8H,9-14H2
InChIKey
PRIHVFMLCGXMNA-UHFFFAOYSA-N
Compound name
2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.1244 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13168 187.6
[M+Na]+ 392.11362 202.7
[M+NH4]+ 387.15822 195.3
[M+K]+ 408.08756 195.5
[M-H]- 368.11712 192.2
[M+Na-2H]- 390.09907 194.2
[M]+ 369.12385 191.3
[M]- 369.12495 191.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.