CID 204445

2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)bicyclo(3.3.1)nonan-9-one hydrochloride

Structural Information

Molecular Formula
C20H25F3N2O
SMILES
C1CC2CCC(C(C1)C2=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C20H25F3N2O/c21-20(22,23)15-4-2-5-16(13-15)24-9-11-25(12-10-24)18-8-7-14-3-1-6-17(18)19(14)26/h2,4-5,13-14,17-18H,1,3,6-12H2
InChIKey
CGRDRXDJEFMSEV-UHFFFAOYSA-N
Compound name
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]bicyclo[3.3.1]nonan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.1919 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.19918 191.0
[M+Na]+ 389.18112 194.2
[M-H]- 365.18462 191.0
[M+NH4]+ 384.22572 201.2
[M+K]+ 405.15506 187.6
[M+H-H2O]+ 349.18916 177.5
[M+HCOO]- 411.19010 195.1
[M+CH3COO]- 425.20575 196.4
[M+Na-2H]- 387.16657 189.7
[M]+ 366.19135 177.9
[M]- 366.19245 177.9
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.