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 175.4
[M+Na]+ 342.14645 181.2
[M-H]- 318.14995 181.3
[M+NH4]+ 337.19105 194.9
[M+K]+ 358.12039 175.5
[M+H-H2O]+ 302.15449 167.7
[M+HCOO]- 364.15543 190.3
[M+CH3COO]- 378.17108 185.4
[M+Na-2H]- 340.13190 175.8
[M]+ 319.15668 173.7
[M]- 319.15778 173.7
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.