CID 6436833

Brn 4536184

Structural Information

Molecular Formula
C20H21FN2O
SMILES
C/C(=C/C(=O)C1=CC=CC=C1)/N2CCN(CC2)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H21FN2O/c1-16(15-20(24)17-5-3-2-4-6-17)22-11-13-23(14-12-22)19-9-7-18(21)8-10-19/h2-10,15H,11-14H2,1H3/b16-15-
InChIKey
BFGZDIHKMAAXSN-NXVVXOECSA-N
Compound name
(Z)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylbut-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 180.3
[M+Na]+ 347.15302 193.3
[M+NH4]+ 342.19762 187.1
[M+K]+ 363.12696 185.2
[M-H]- 323.15652 183.9
[M+Na-2H]- 345.13847 188.2
[M]+ 324.16325 183.0
[M]- 324.16435 183.0
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.