CID 3071154

87421-57-6

Structural Information

Molecular Formula
C22H24FNO2
SMILES
CN1[C@H]2CC[C@@H]1[C@H](CC2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)F
InChI
InChI=1S/C22H24FNO2/c1-24-18-12-14-19(24)20(15-13-18)26-21(25)22(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20H,12-15H2,1H3/t18-,19+,20-/m0/s1
InChIKey
PXPFOIYLNCPFCA-ZCNNSNEGSA-N
Compound name
[(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2-fluoro-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1791 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.18638 185.9
[M+Na]+ 376.16832 189.8
[M-H]- 352.17182 191.1
[M+NH4]+ 371.21292 199.9
[M+K]+ 392.14226 184.6
[M+H-H2O]+ 336.17636 176.0
[M+HCOO]- 398.17730 198.9
[M+CH3COO]- 412.19295 194.3
[M+Na-2H]- 374.15377 186.8
[M]+ 353.17855 181.9
[M]- 353.17965 181.9
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.