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 179.3
[M+Na]+ 349.16866 182.9
[M-H]- 325.17216 183.4
[M+NH4]+ 344.21326 189.4
[M+K]+ 365.14260 177.5
[M+H-H2O]+ 309.17670 167.3
[M+HCOO]- 371.17764 193.1
[M+CH3COO]- 385.19329 210.0
[M+Na-2H]- 347.15411 179.1
[M]+ 326.17889 173.5
[M]- 326.17999 173.5
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.