CID 199441

Brn 0897800

Structural Information

Molecular Formula
C25H30N2O
SMILES
C1CC2C(CC(C(C1)C2=O)N3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H30N2O/c28-25-21-12-7-13-22(25)24(18-23(21)19-8-3-1-4-9-19)27-16-14-26(15-17-27)20-10-5-2-6-11-20/h1-6,8-11,21-24H,7,12-18H2
InChIKey
DGSWQMPUSXBITN-UHFFFAOYSA-N
Compound name
2-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

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.24308 196.5
[M+Na]+ 397.22502 211.1
[M+NH4]+ 392.26962 205.9
[M+K]+ 413.19896 200.5
[M-H]- 373.22852 204.4
[M+Na-2H]- 395.21047 204.0
[M]+ 374.23525 200.9
[M]- 374.23635 200.9
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.