CID 20144

4177-27-9

Structural Information

Molecular Formula
C19H28N2O
SMILES
C1CC2CCC(C(C1)C2O)N3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C19H28N2O/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/h1-3,6-7,15,17-19,22H,4-5,8-14H2
InChIKey
FBRYMVSDJFAIMA-UHFFFAOYSA-N
Compound name
2-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.22015 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.22743 174.8
[M+Na]+ 323.20937 176.2
[M-H]- 299.21287 177.2
[M+NH4]+ 318.25397 187.0
[M+K]+ 339.18331 170.5
[M+H-H2O]+ 283.21741 164.0
[M+HCOO]- 345.21835 182.6
[M+CH3COO]- 359.23400 181.5
[M+Na-2H]- 321.19482 175.6
[M]+ 300.21960 163.7
[M]- 300.22070 163.7
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.