CID 3088774

119321-50-5

Structural Information

Molecular Formula
C21H25F3N2O2
SMILES
C1CN(CCN1CCCOC2=CC=C(C=C2)CO)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C21H25F3N2O2/c22-21(23,24)18-3-1-4-19(15-18)26-12-10-25(11-13-26)9-2-14-28-20-7-5-17(16-27)6-8-20/h1,3-8,15,27H,2,9-14,16H2
InChIKey
PWPUQWPVRWROSM-UHFFFAOYSA-N
Compound name
[4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.1868 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.19408 196.9
[M+Na]+ 417.17602 206.2
[M+NH4]+ 412.22062 200.8
[M+K]+ 433.14996 199.2
[M-H]- 393.17952 196.2
[M+Na-2H]- 415.16147 201.6
[M]+ 394.18625 197.7
[M]- 394.18735 197.7
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.