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 182.4
[M+Na]+ 365.16357 185.4
[M-H]- 341.16707 185.1
[M+NH4]+ 360.20817 191.0
[M+K]+ 381.13751 179.8
[M+H-H2O]+ 325.17161 170.6
[M+HCOO]- 387.17255 194.9
[M+CH3COO]- 401.18820 209.7
[M+Na-2H]- 363.14902 181.9
[M]+ 342.17380 176.2
[M]- 342.17490 176.2
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