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 191.3
[M+Na]+ 393.19488 193.8
[M-H]- 369.19838 194.9
[M+NH4]+ 388.23948 199.4
[M+K]+ 409.16882 188.6
[M+H-H2O]+ 353.20292 178.6
[M+HCOO]- 415.20386 204.5
[M+CH3COO]- 429.21951 217.9
[M+Na-2H]- 391.18033 190.1
[M]+ 370.20511 187.5
[M]- 370.20621 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.