CID 3061499

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

Structural Information

Molecular Formula
C26H33N3O3
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)CCCN3C(=O)CC(CC3=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C26H33N3O3/c1-20-4-8-23(9-5-20)28-16-14-27(15-17-28)12-3-13-29-25(30)18-22(19-26(29)31)21-6-10-24(32-2)11-7-21/h4-11,22H,3,12-19H2,1-2H3
InChIKey
XFRDBUJOVRNQSX-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.2522 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.259476 212.5
[M+Na]+ 458.241418 215.6
[M-H]- 434.244924 219.0
[M+NH4]+ 453.286023 216.6
[M+K]+ 474.215358 208.9
[M+H-H2O]+ 418.249460 198.3
[M+HCOO]- 480.250401 223.0
[M+CH3COO]- 494.266051 231.7
[M+Na-2H]- 456.226866 208.3
[M]+ 435.25165142 207.9
[M]- 435.25274858 207.9
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.