CID 210478

21263-28-5

Structural Information

Molecular Formula
C22H27FN2O2
SMILES
COC(CN1CCN(CC1)CCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3
InChI
InChI=1S/C22H27FN2O2/c1-27-22(19-5-3-2-4-6-19)17-25-15-13-24(14-16-25)12-11-21(26)18-7-9-20(23)10-8-18/h2-10,22H,11-17H2,1H3
InChIKey
FOJKYVPDUJTQNL-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.20566 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.21294 193.0
[M+Na]+ 393.19488 204.9
[M+NH4]+ 388.23948 199.0
[M+K]+ 409.16882 197.0
[M-H]- 369.19838 196.2
[M+Na-2H]- 391.18033 199.9
[M]+ 370.20511 195.4
[M]- 370.20621 195.4
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.