CID 20145

4177-34-8

Structural Information

Molecular Formula
C19H26N2O
SMILES
C1CC2CCC(C(C1)C2=O)N3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C19H26N2O/c22-19-15-5-4-8-17(19)18(10-9-15)21-13-11-20(12-14-21)16-6-2-1-3-7-16/h1-3,6-7,15,17-18H,4-5,8-14H2
InChIKey
UWHFQUNBQINORU-UHFFFAOYSA-N
Compound name
2-(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

298.2045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.21178 175.4
[M+Na]+ 321.19372 188.0
[M+NH4]+ 316.23832 184.8
[M+K]+ 337.16766 179.0
[M-H]- 297.19722 180.6
[M+Na-2H]- 319.17917 180.7
[M]+ 298.20395 178.6
[M]- 298.20505 178.6
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.