CID 3045764

61098-72-4

Structural Information

Molecular Formula
C23H26FNO2
SMILES
C1CC2CC(C1)(CN2CCCC(=O)C3=CC=C(C=C3)F)C4=CC(=CC=C4)O
InChI
InChI=1S/C23H26FNO2/c24-19-10-8-17(9-11-19)22(27)7-3-13-25-16-23(12-2-5-20(25)15-23)18-4-1-6-21(26)14-18/h1,4,6,8-11,14,20,26H,2-3,5,7,12-13,15-16H2
InChIKey
HUDQJSMIYSICGD-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[1-(3-hydroxyphenyl)-6-azabicyclo[3.2.1]octan-6-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

367.19476 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.20204 190.7
[M+Na]+ 390.18398 195.4
[M-H]- 366.18748 194.8
[M+NH4]+ 385.22858 205.6
[M+K]+ 406.15792 188.7
[M+H-H2O]+ 350.19202 180.6
[M+HCOO]- 412.19296 203.5
[M+CH3COO]- 426.20861 198.6
[M+Na-2H]- 388.16943 190.0
[M]+ 367.19421 186.5
[M]- 367.19531 186.5
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