CID 3061496

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

Structural Information

Molecular Formula
C25H31N3O3
SMILES
COC1=CC=C(C=C1)C2CC(=O)N(C(=O)C2)CCCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C25H31N3O3/c1-31-23-10-8-20(9-11-23)21-18-24(29)28(25(30)19-21)13-5-12-26-14-16-27(17-15-26)22-6-3-2-4-7-22/h2-4,6-11,21H,5,12-19H2,1H3
InChIKey
ZHTFLKUALCWWHB-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-1-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.23654 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.24382 207.6
[M+Na]+ 444.22576 210.2
[M-H]- 420.22926 213.9
[M+NH4]+ 439.27036 212.0
[M+K]+ 460.19970 203.7
[M+H-H2O]+ 404.23380 193.3
[M+HCOO]- 466.23474 218.5
[M+CH3COO]- 480.25039 213.1
[M+Na-2H]- 442.21121 204.7
[M]+ 421.23599 202.2
[M]- 421.23709 202.2
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.