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]+ 442.18920 210.0
[M+Na]+ 464.17114 214.7
[M-H]- 440.17464 216.6
[M+NH4]+ 459.21574 214.9
[M+K]+ 480.14508 207.3
[M+H-H2O]+ 424.17918 196.3
[M+HCOO]- 486.18012 216.6
[M+CH3COO]- 500.19577 215.9
[M+Na-2H]- 462.15659 206.4
[M]+ 441.18137 207.1
[M]- 441.18247 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.