CID 6435347

2-buten-1-one, 1-(4-fluorophenyl)-3-(4-phenyl-1-piperazinyl)-

Structural Information

Molecular Formula
C20H21FN2O
SMILES
C/C(=C\C(=O)C1=CC=C(C=C1)F)/N2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C20H21FN2O/c1-16(15-20(24)17-7-9-18(21)10-8-17)22-11-13-23(14-12-22)19-5-3-2-4-6-19/h2-10,15H,11-14H2,1H3/b16-15+
InChIKey
FILBKNQHLPNPJJ-FOCLMDBBSA-N
Compound name
(E)-1-(4-fluorophenyl)-3-(4-phenylpiperazin-1-yl)but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1638 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.171076 178.5
[M+Na]+ 347.153018 182.5
[M-H]- 323.156524 182.6
[M+NH4]+ 342.197623 188.6
[M+K]+ 363.126958 176.4
[M+H-H2O]+ 307.161060 166.6
[M+HCOO]- 369.162001 192.5
[M+CH3COO]- 383.177651 208.6
[M+Na-2H]- 345.138466 178.3
[M]+ 324.16325142 171.9
[M]- 324.16434858 171.9
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.