CID 3061501

1-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-4-(4-methoxyphenyl)-2,6-piperidinedione

Structural Information

Molecular Formula
C25H30ClN3O3
SMILES
COC1=CC=C(C=C1)C2CC(=O)N(C(=O)C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C25H30ClN3O3/c1-32-23-8-6-19(7-9-23)20-16-24(30)29(25(31)17-20)11-3-10-27-12-14-28(15-13-27)22-5-2-4-21(26)18-22/h2,4-9,18,20H,3,10-17H2,1H3
InChIKey
VVDDGLZRQUNJCD-UHFFFAOYSA-N
Compound name
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-(4-methoxyphenyl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.19757 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.20485 212.9
[M+Na]+ 478.18679 227.9
[M+NH4]+ 473.23139 219.1
[M+K]+ 494.16073 218.3
[M-H]- 454.19029 219.1
[M+Na-2H]- 476.17224 220.2
[M]+ 455.19702 217.0
[M]- 455.19812 217.0
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.