CID 59655

101858-23-5

Structural Information

Molecular Formula
C26H32FNO3
SMILES
C1CC2CC(CC(C1)N2CCCC3(OCCO3)C4=CC=C(C=C4)F)(C5=CC=CC=C5)O
InChI
InChI=1S/C26H32FNO3/c27-22-12-10-21(11-13-22)26(30-16-17-31-26)14-5-15-28-23-8-4-9-24(28)19-25(29,18-23)20-6-2-1-3-7-20/h1-3,6-7,10-13,23-24,29H,4-5,8-9,14-19H2
InChIKey
REEKMQKPPHFYBM-UHFFFAOYSA-N
Compound name
9-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.23663 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.24391 207.9
[M+Na]+ 448.22585 219.4
[M+NH4]+ 443.27045 218.2
[M+K]+ 464.19979 209.0
[M-H]- 424.22935 215.3
[M+Na-2H]- 446.21130 214.1
[M]+ 425.23608 212.0
[M]- 425.23718 212.0
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

No patent data available for this compound.