CID 3051833

Lj 1161

Structural Information

Molecular Formula
C18H25F3N2O
SMILES
C1CCC(C(C1)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)O
InChI
InChI=1S/C18H25F3N2O/c19-18(20,21)15-5-3-6-16(12-15)23-10-8-22(9-11-23)13-14-4-1-2-7-17(14)24/h3,5-6,12,14,17,24H,1-2,4,7-11,13H2
InChIKey
XCNGNRWKCXOGGT-UHFFFAOYSA-N
Compound name
2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

342.1919 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.19918 183.9
[M+Na]+ 365.18112 186.8
[M-H]- 341.18462 183.6
[M+NH4]+ 360.22572 193.1
[M+K]+ 381.15506 180.8
[M+H-H2O]+ 325.18916 171.1
[M+HCOO]- 387.19010 190.6
[M+CH3COO]- 401.20575 208.2
[M+Na-2H]- 363.16657 182.3
[M]+ 342.19135 170.9
[M]- 342.19245 170.9
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

patents stripe