CID 215858

36489-45-9

Structural Information

Molecular Formula
C25H30N2O
SMILES
C1CC2C(CCC(C1)(C2=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C25H30N2O/c28-24-22-12-7-14-25(24,20-8-3-1-4-9-20)15-13-23(22)27-18-16-26(17-19-27)21-10-5-2-6-11-21/h1-6,8-11,22-23H,7,12-19H2
InChIKey
OSTCLIXSFIPTIH-UHFFFAOYSA-N
Compound name
1-phenyl-4-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.2358 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.24308 195.5
[M+Na]+ 397.22502 197.1
[M-H]- 373.22852 201.7
[M+NH4]+ 392.26962 206.2
[M+K]+ 413.19896 190.0
[M+H-H2O]+ 357.23306 181.4
[M+HCOO]- 419.23400 203.9
[M+CH3COO]- 433.24965 201.2
[M+Na-2H]- 395.21047 196.2
[M]+ 374.23525 184.6
[M]- 374.23635 184.6
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.