CID 50664

Ro 2-3245

Structural Information

Molecular Formula
C21H21NO2
SMILES
C1CC2CN(C1)CC2OC(=O)C3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C21H21NO2/c23-21(24-19-13-22-11-5-6-14(19)12-22)20-17-9-3-1-7-15(17)16-8-2-4-10-18(16)20/h1-4,7-10,14,19-20H,5-6,11-13H2
InChIKey
SOYLJULMHMTAEM-UHFFFAOYSA-N
Compound name
1-azabicyclo[3.2.1]octan-6-yl 9H-fluorene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.15723 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.16451 175.9
[M+Na]+ 342.14645 188.1
[M+NH4]+ 337.19105 186.2
[M+K]+ 358.12039 183.3
[M-H]- 318.14995 179.8
[M+Na-2H]- 340.13190 178.9
[M]+ 319.15668 178.7
[M]- 319.15778 178.7
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.