CID 3066227

M.g. 16252

Structural Information

Molecular Formula
C31H37N3O
SMILES
C1CC(=O)N(CC1C2=CC=CC=C2)CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C31H37N3O/c35-30-18-17-29(26-11-4-1-5-12-26)25-34(30)20-10-19-32-21-23-33(24-22-32)31(27-13-6-2-7-14-27)28-15-8-3-9-16-28/h1-9,11-16,29,31H,10,17-25H2
InChIKey
BJGRCLTUASFUGD-UHFFFAOYSA-N
Compound name
1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-5-phenylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.29367 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.30095 222.5
[M+Na]+ 490.28289 237.7
[M+NH4]+ 485.32749 229.8
[M+K]+ 506.25683 226.5
[M-H]- 466.28639 231.9
[M+Na-2H]- 488.26834 233.3
[M]+ 467.29312 227.4
[M]- 467.29422 227.4
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.