CID 6248152

1-(2-fluorophenyl)-4-(3-(3-methylphenyl)acryloyl)piperazine

Structural Information

Molecular Formula
C20H21FN2O
SMILES
CC1=CC(=CC=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=C3F
InChI
InChI=1S/C20H21FN2O/c1-16-5-4-6-17(15-16)9-10-20(24)23-13-11-22(12-14-23)19-8-3-2-7-18(19)21/h2-10,15H,11-14H2,1H3/b10-9+
InChIKey
ZEGMZFRARKLWRZ-MDZDMXLPSA-N
Compound name
(E)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(3-methylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1638 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.17108 181.3
[M+Na]+ 347.15302 195.1
[M+NH4]+ 342.19762 188.2
[M+K]+ 363.12696 186.3
[M-H]- 323.15652 185.1
[M+Na-2H]- 345.13847 189.3
[M]+ 324.16325 184.3
[M]- 324.16435 184.3
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.