CID 3066209

M.g. 16166

Structural Information

Molecular Formula
C30H35N3O
SMILES
C1CC(=O)N(C1C2=CC=CC=C2)CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H35N3O/c34-29-18-17-28(25-11-4-1-5-12-25)33(29)20-10-19-31-21-23-32(24-22-31)30(26-13-6-2-7-14-26)27-15-8-3-9-16-27/h1-9,11-16,28,30H,10,17-24H2
InChIKey
OLWARBWXQAYMOI-UHFFFAOYSA-N
Compound name
1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-5-phenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.278 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.28528 214.8
[M+Na]+ 476.26722 215.0
[M-H]- 452.27072 223.5
[M+NH4]+ 471.31182 218.7
[M+K]+ 492.24116 206.7
[M+H-H2O]+ 436.27526 199.7
[M+HCOO]- 498.27620 225.8
[M+CH3COO]- 512.29185 219.3
[M+Na-2H]- 474.25267 209.5
[M]+ 453.27745 207.0
[M]- 453.27855 207.0
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.