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]+ 371.212936 191.3
[M+Na]+ 393.194878 193.8
[M-H]- 369.198384 194.9
[M+NH4]+ 388.239483 199.4
[M+K]+ 409.168818 188.6
[M+H-H2O]+ 353.202920 178.6
[M+HCOO]- 415.203861 204.5
[M+CH3COO]- 429.219511 217.9
[M+Na-2H]- 391.180326 190.1
[M]+ 370.20511142 187.5
[M]- 370.20620858 187.5
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.