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 179.3
[M+Na]+ 347.15302 184.7
[M-H]- 323.15652 183.9
[M+NH4]+ 342.19762 190.0
[M+K]+ 363.12696 178.2
[M+H-H2O]+ 307.16106 167.5
[M+HCOO]- 369.16200 194.4
[M+CH3COO]- 383.17765 208.3
[M+Na-2H]- 345.13847 179.5
[M]+ 324.16325 173.7
[M]- 324.16435 173.7
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.