CID 46165

63990-53-4

Structural Information

Molecular Formula
C22H25F3N2O3
SMILES
CC(=O)C1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)O
InChI
InChI=1S/C22H25F3N2O3/c1-16(28)20-7-2-3-8-21(20)30-15-19(29)14-26-9-11-27(12-10-26)18-6-4-5-17(13-18)22(23,24)25/h2-8,13,19,29H,9-12,14-15H2,1H3
InChIKey
DWTDGCXSUCRGEH-UHFFFAOYSA-N
Compound name
1-[2-[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 200.6
[M+Na]+ 445.17095 204.1
[M-H]- 421.17445 201.0
[M+NH4]+ 440.21555 206.2
[M+K]+ 461.14489 198.5
[M+H-H2O]+ 405.17899 187.1
[M+HCOO]- 467.17993 208.8
[M+CH3COO]- 481.19558 224.0
[M+Na-2H]- 443.15640 198.2
[M]+ 422.18118 194.2
[M]- 422.18228 194.2
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.