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 204.2
[M+Na]+ 448.22585 207.4
[M-H]- 424.22935 211.6
[M+NH4]+ 443.27045 215.4
[M+K]+ 464.19979 203.3
[M+H-H2O]+ 408.23389 192.3
[M+HCOO]- 470.23483 212.1
[M+CH3COO]- 484.25048 210.7
[M+Na-2H]- 446.21130 203.9
[M]+ 425.23608 198.4
[M]- 425.23718 198.4
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.