CID 20144

Brn 0616455

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]+ 301.227426 174.8
[M+Na]+ 323.209368 176.2
[M-H]- 299.212874 177.2
[M+NH4]+ 318.253973 187.0
[M+K]+ 339.183308 170.5
[M+H-H2O]+ 283.217410 164.0
[M+HCOO]- 345.218351 182.6
[M+CH3COO]- 359.234001 181.5
[M+Na-2H]- 321.194816 175.6
[M]+ 300.21960142 163.7
[M]- 300.22069858 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.