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

2
Patents

298.2045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.211776 173.9
[M+Na]+ 321.193718 175.8
[M-H]- 297.197224 177.5
[M+NH4]+ 316.238323 186.6
[M+K]+ 337.167658 170.4
[M+H-H2O]+ 281.201760 162.6
[M+HCOO]- 343.202701 183.3
[M+CH3COO]- 357.218351 181.2
[M+Na-2H]- 319.179166 175.0
[M]+ 298.20395142 163.7
[M]- 298.20504858 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

patents stripe