CID 3066202

M.g. 16284

Structural Information

Molecular Formula
C31H37N3O
SMILES
C1CN(C(=O)CC1C2=CC=CC=C2)CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C31H37N3O/c35-30-25-29(26-11-4-1-5-12-26)17-20-33(30)19-10-18-32-21-23-34(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
GOCWQQRQNXBIDL-UHFFFAOYSA-N
Compound name
1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-4-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 220.0
[M+Na]+ 490.28289 218.7
[M-H]- 466.28639 227.4
[M+NH4]+ 485.32749 221.0
[M+K]+ 506.25683 210.0
[M+H-H2O]+ 450.29093 203.5
[M+HCOO]- 512.29187 228.1
[M+CH3COO]- 526.30752 223.0
[M+Na-2H]- 488.26834 216.4
[M]+ 467.29312 209.9
[M]- 467.29422 209.9
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.