CID 6445526

1-((2-cinnamoyl)ethyl)-4-(p-fluorophenyl)-, dihydrochloride

Structural Information

Molecular Formula
C21H23FN2O
SMILES
C1CN(CCN1CCC(=O)/C=C/C2=CC=CC=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H23FN2O/c22-19-7-9-20(10-8-19)24-16-14-23(15-17-24)13-12-21(25)11-6-18-4-2-1-3-5-18/h1-11H,12-17H2/b11-6+
InChIKey
VCKGLDDEYYRLJU-IZZDOVSWSA-N
Compound name
(E)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.17944 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18672 185.5
[M+Na]+ 361.16866 198.6
[M+NH4]+ 356.21326 192.2
[M+K]+ 377.14260 189.4
[M-H]- 337.17216 189.2
[M+Na-2H]- 359.15411 193.4
[M]+ 338.17889 188.3
[M]- 338.17999 188.3
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.