CID 168054207

3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-2-one

Structural Information

Molecular Formula
C15H20FN3O
SMILES
C1CC(C(=O)NC1)N2CCN(CC2)C3=CC=CC=C3F
InChI
InChI=1S/C15H20FN3O/c16-12-4-1-2-5-13(12)18-8-10-19(11-9-18)14-6-3-7-17-15(14)20/h1-2,4-5,14H,3,6-11H2,(H,17,20)
InChIKey
ZRCXNAXIDGFTLE-UHFFFAOYSA-N
Compound name
3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.15903 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.16631 168.1
[M+Na]+ 300.14825 172.0
[M-H]- 276.15175 169.3
[M+NH4]+ 295.19285 178.3
[M+K]+ 316.12219 166.2
[M+H-H2O]+ 260.15629 156.2
[M+HCOO]- 322.15723 178.4
[M+CH3COO]- 336.17288 175.6
[M+Na-2H]- 298.13370 168.4
[M]+ 277.15848 156.7
[M]- 277.15958 156.7
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.