CID 3066217

M.g. 16246

Structural Information

Molecular Formula
C32H39N3O
SMILES
C1CC(N(C(=O)C1)CCCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C32H39N3O/c36-31-20-12-19-30(27-13-4-1-5-14-27)35(31)22-11-10-21-33-23-25-34(26-24-33)32(28-15-6-2-7-16-28)29-17-8-3-9-18-29/h1-9,13-18,30,32H,10-12,19-26H2
InChIKey
COEWJXMKXPACLI-UHFFFAOYSA-N
Compound name
1-[4-(4-benzhydrylpiperazin-1-yl)butyl]-6-phenylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.30933 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.31661 224.0
[M+Na]+ 504.29855 222.2
[M-H]- 480.30205 231.2
[M+NH4]+ 499.34315 224.4
[M+K]+ 520.27249 213.3
[M+H-H2O]+ 464.30659 207.2
[M+HCOO]- 526.30753 231.7
[M+CH3COO]- 540.32318 226.5
[M+Na-2H]- 502.28400 219.9
[M]+ 481.30878 214.1
[M]- 481.30988 214.1
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.