CID 11574574

Way-256805

Structural Information

Molecular Formula
C20H29F3N2O2
SMILES
CN1CCN(CC1)C[C@H](C2=CC(=CC=C2)OC(F)(F)F)C3(CCCCC3)O
InChI
InChI=1S/C20H29F3N2O2/c1-24-10-12-25(13-11-24)15-18(19(26)8-3-2-4-9-19)16-6-5-7-17(14-16)27-20(21,22)23/h5-7,14,18,26H,2-4,8-13,15H2,1H3/t18-/m1/s1
InChIKey
AKRIZMRTOCYSRB-GOSISDBHSA-N
Compound name
1-[(1S)-2-(4-methylpiperazin-1-yl)-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

51
Patents

386.2181 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.22538 194.9
[M+Na]+ 409.20732 196.6
[M-H]- 385.21082 194.2
[M+NH4]+ 404.25192 203.8
[M+K]+ 425.18126 191.8
[M+H-H2O]+ 369.21536 182.0
[M+HCOO]- 431.21630 200.2
[M+CH3COO]- 445.23195 215.3
[M+Na-2H]- 407.19277 193.1
[M]+ 386.21755 183.4
[M]- 386.21865 183.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe