CID 10223844

Schembl1506366

Structural Information

Molecular Formula
C27H30FNO2
SMILES
C1CN(CC(C1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)O)CC4=CC=C(C=C4)F
InChI
InChI=1S/C27H30FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,26-27,30H,15-20H2
InChIKey
SEGLRXUOVKIQDG-UHFFFAOYSA-N
Compound name
4-(2-benzhydryloxyethyl)-1-[(4-fluorophenyl)methyl]piperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

419.22604 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.23332 204.8
[M+Na]+ 442.21526 206.8
[M-H]- 418.21876 211.3
[M+NH4]+ 437.25986 211.2
[M+K]+ 458.18920 199.5
[M+H-H2O]+ 402.22330 191.5
[M+HCOO]- 464.22424 218.0
[M+CH3COO]- 478.23989 210.8
[M+Na-2H]- 440.20071 203.1
[M]+ 419.22549 199.2
[M]- 419.22659 199.2
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