CID 34065

27922-14-1

Structural Information

Molecular Formula
C20H23FN2O
SMILES
CC(CC(=O)C1=CC=C(C=C1)F)N2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C20H23FN2O/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/h2-10,16H,11-15H2,1H3
InChIKey
IUUAHALRMYQMQD-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-(4-phenylpiperazin-1-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

326.17944 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18672 181.1
[M+Na]+ 349.16866 194.0
[M+NH4]+ 344.21326 188.1
[M+K]+ 365.14260 186.0
[M-H]- 325.17216 184.9
[M+Na-2H]- 347.15411 189.1
[M]+ 326.17889 183.9
[M]- 326.17999 183.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.