CID 3058194

2,2,2-trifluoro-1-((4-(1-(2-phenylethyl)-4-piperidinyl)phenyl)amino)ethanol

Structural Information

Molecular Formula
C21H25F3N2O
SMILES
C1CN(CCC1NC2=CC=C(C=C2)C(C(F)(F)F)O)CCC3=CC=CC=C3
InChI
InChI=1S/C21H25F3N2O/c22-21(23,24)20(27)17-6-8-18(9-7-17)25-19-11-14-26(15-12-19)13-10-16-4-2-1-3-5-16/h1-9,19-20,25,27H,10-15H2
InChIKey
MUGMPODLWDIECN-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-[4-[[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

378.1919 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.19918 189.7
[M+Na]+ 401.18112 192.3
[M-H]- 377.18462 191.1
[M+NH4]+ 396.22572 198.3
[M+K]+ 417.15506 185.7
[M+H-H2O]+ 361.18916 177.1
[M+HCOO]- 423.19010 201.2
[M+CH3COO]- 437.20575 217.9
[M+Na-2H]- 399.16657 189.9
[M]+ 378.19135 180.0
[M]- 378.19245 180.0
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