CID 6435347

Brn 4534101

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]+ 325.17108 178.5
[M+Na]+ 347.15302 182.5
[M-H]- 323.15652 182.6
[M+NH4]+ 342.19762 188.6
[M+K]+ 363.12696 176.4
[M+H-H2O]+ 307.16106 166.6
[M+HCOO]- 369.16200 192.5
[M+CH3COO]- 383.17765 208.6
[M+Na-2H]- 345.13847 178.3
[M]+ 324.16325 171.9
[M]- 324.16435 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.