CID 46167

63990-54-5

Structural Information

Molecular Formula
C22H25F3N2O3
SMILES
CC(=O)C1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)O
InChI
InChI=1S/C22H25F3N2O3/c1-16(28)17-4-2-7-21(12-17)30-15-20(29)14-26-8-10-27(11-9-26)19-6-3-5-18(13-19)22(23,24)25/h2-7,12-13,20,29H,8-11,14-15H2,1H3
InChIKey
CIRVJOXRIAAPON-UHFFFAOYSA-N
Compound name
1-[3-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.18173 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.18901 201.3
[M+Na]+ 445.17095 209.3
[M+NH4]+ 440.21555 204.1
[M+K]+ 461.14489 204.2
[M-H]- 421.17445 199.5
[M+Na-2H]- 443.15640 204.8
[M]+ 422.18118 201.5
[M]- 422.18228 201.5
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

No patent data available for this compound.