CID 3061500

1-(3-(4-(2-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=C4Cl
InChI
InChI=1S/C25H30ClN3O3/c1-32-21-9-7-19(8-10-21)20-17-24(30)29(25(31)18-20)12-4-11-27-13-15-28(16-14-27)23-6-3-2-5-22(23)26/h2-3,5-10,20H,4,11-18H2,1H3
InChIKey
BYRALDMDFGKPEP-UHFFFAOYSA-N
Compound name
1-[3-[4-(2-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 214.2
[M+Na]+ 478.18679 218.4
[M-H]- 454.19029 220.6
[M+NH4]+ 473.23139 218.4
[M+K]+ 494.16073 210.8
[M+H-H2O]+ 438.19483 200.2
[M+HCOO]- 500.19577 220.4
[M+CH3COO]- 514.21142 219.6
[M+Na-2H]- 476.17224 210.0
[M]+ 455.19702 211.6
[M]- 455.19812 211.6
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.