CID 39881

51037-47-9

Structural Information

Molecular Formula
C20H23FN2O2
SMILES
C1CN(CCN1CCC(C(=O)C2=CC=C(C=C2)F)O)C3=CC=CC=C3
InChI
InChI=1S/C20H23FN2O2/c21-17-8-6-16(7-9-17)20(25)19(24)10-11-22-12-14-23(15-13-22)18-4-2-1-3-5-18/h1-9,19,24H,10-15H2
InChIKey
DTQPKKCVUDORIM-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

342.17435 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.18163 184.4
[M+Na]+ 365.16357 196.3
[M+NH4]+ 360.20817 190.5
[M+K]+ 381.13751 189.1
[M-H]- 341.16707 187.2
[M+Na-2H]- 363.14902 191.3
[M]+ 342.17380 186.6
[M]- 342.17490 186.6
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

patents stripe