CID 3041445

Cis-(+-)-3-((4-methoxyphenoxy)methyl)-4-phenyl-1-(2,2,2-trifluoroethyl)piperidine hydrobromide

Structural Information

Molecular Formula
C21H24F3NO2
SMILES
COC1=CC=C(C=C1)OC[C@H]2CN(CC[C@H]2C3=CC=CC=C3)CC(F)(F)F
InChI
InChI=1S/C21H24F3NO2/c1-26-18-7-9-19(10-8-18)27-14-17-13-25(15-21(22,23)24)12-11-20(17)16-5-3-2-4-6-16/h2-10,17,20H,11-15H2,1H3/t17-,20+/m1/s1
InChIKey
WJSATULUFJDHRQ-XLIONFOSSA-N
Compound name
(3R,4R)-3-[(4-methoxyphenoxy)methyl]-4-phenyl-1-(2,2,2-trifluoroethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

379.1759 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18318 191.5
[M+Na]+ 402.16512 196.4
[M-H]- 378.16862 194.6
[M+NH4]+ 397.20972 201.3
[M+K]+ 418.13906 190.8
[M+H-H2O]+ 362.17316 178.4
[M+HCOO]- 424.17410 204.5
[M+CH3COO]- 438.18975 217.7
[M+Na-2H]- 400.15057 191.7
[M]+ 379.17535 186.5
[M]- 379.17645 186.5
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