CID 204971

Brn 0705019

Structural Information

Molecular Formula
C20H23FN2O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H23FN2O2/c1-25-20-5-3-2-4-18(20)23-14-12-22(13-15-23)11-10-19(24)16-6-8-17(21)9-7-16/h2-9H,10-15H2,1H3
InChIKey
QAILDFJGVAOWMW-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

342.17435 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.18163 183.0
[M+Na]+ 365.16357 187.7
[M-H]- 341.16707 187.4
[M+NH4]+ 360.20817 192.7
[M+K]+ 381.13751 182.4
[M+H-H2O]+ 325.17161 170.8
[M+HCOO]- 387.17255 198.0
[M+CH3COO]- 401.18820 212.4
[M+Na-2H]- 363.14902 183.2
[M]+ 342.17380 179.6
[M]- 342.17490 179.6
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

patents stripe