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 173.9
[M+Na]+ 321.19372 175.8
[M-H]- 297.19722 177.5
[M+NH4]+ 316.23832 186.6
[M+K]+ 337.16766 170.4
[M+H-H2O]+ 281.20176 162.6
[M+HCOO]- 343.20270 183.3
[M+CH3COO]- 357.21835 181.2
[M+Na-2H]- 319.17917 175.0
[M]+ 298.20395 163.7
[M]- 298.20505 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