CID 3061493

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

Structural Information

Molecular Formula
C24H28ClN3O3
SMILES
COC1=CC=C(C=C1)C2CC(=O)N(C(=O)C2)CCN3CCN(CC3)C4=CC=CC=C4Cl
InChI
InChI=1S/C24H28ClN3O3/c1-31-20-8-6-18(7-9-20)19-16-23(29)28(24(30)17-19)15-12-26-10-13-27(14-11-26)22-5-3-2-4-21(22)25/h2-9,19H,10-17H2,1H3
InChIKey
VZEQYUXMGCJUFF-UHFFFAOYSA-N
Compound name
1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-4-(4-methoxyphenyl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.18192 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.189196 210.0
[M+Na]+ 464.171138 214.7
[M-H]- 440.174644 216.6
[M+NH4]+ 459.215743 214.9
[M+K]+ 480.145078 207.3
[M+H-H2O]+ 424.179180 196.3
[M+HCOO]- 486.180121 216.6
[M+CH3COO]- 500.195771 215.9
[M+Na-2H]- 462.156586 206.4
[M]+ 441.18137142 207.1
[M]- 441.18246858 207.1
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.