CID 206183

1-butanone, 1-(4-fluorophenyl)-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)-, hydrochloride

Structural Information

Molecular Formula
C28H30FNO2
SMILES
C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C28H30FNO2/c29-26-15-13-22(14-16-26)27(31)12-7-19-30-20-17-25(18-21-30)28(32,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-11,13-16,25,32H,7,12,17-21H2
InChIKey
UCGKDRWEWXRMCD-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

431.22604 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.23332 207.4
[M+Na]+ 454.21526 208.7
[M-H]- 430.21876 213.7
[M+NH4]+ 449.25986 213.0
[M+K]+ 470.18920 201.2
[M+H-H2O]+ 414.22330 194.4
[M+HCOO]- 476.22424 218.9
[M+CH3COO]- 490.23989 226.2
[M+Na-2H]- 452.20071 206.9
[M]+ 431.22549 200.6
[M]- 431.22659 200.6
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