CID 28307

Acetophenone, 4'-fluoro-2-(4-(o-methoxyphenyl)-1-piperazinyl)-

Structural Information

Molecular Formula
C19H21FN2O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H21FN2O2/c1-24-19-5-3-2-4-17(19)22-12-10-21(11-13-22)14-18(23)15-6-8-16(20)9-7-15/h2-9H,10-14H2,1H3
InChIKey
UBVVVNVZUMKDKO-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

328.1587 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.16598 178.6
[M+Na]+ 351.14792 183.7
[M-H]- 327.15142 183.2
[M+NH4]+ 346.19252 188.9
[M+K]+ 367.12186 178.7
[M+H-H2O]+ 311.15596 166.5
[M+HCOO]- 373.15690 193.9
[M+CH3COO]- 387.17255 209.5
[M+Na-2H]- 349.13337 179.3
[M]+ 328.15815 174.8
[M]- 328.15925 174.8
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.