CID 11888008

Ctk5f2717

Structural Information

Molecular Formula
C20H20N2O2
SMILES
C1[C@@H]2CN[C@H]1CN2C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C20H20N2O2/c23-20(22-11-13-9-14(22)10-21-13)24-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,13-14,19,21H,9-12H2/t13-,14-/m1/s1
InChIKey
RLNZYGFONFGKGT-ZIAGYGMSSA-N
Compound name
9H-fluoren-9-ylmethyl (1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.15247 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15975 176.0
[M+Na]+ 343.14169 182.8
[M-H]- 319.14519 180.5
[M+NH4]+ 338.18629 195.5
[M+K]+ 359.11563 177.1
[M+H-H2O]+ 303.14973 169.2
[M+HCOO]- 365.15067 191.0
[M+CH3COO]- 379.16632 185.9
[M+Na-2H]- 341.12714 174.6
[M]+ 320.15192 175.4
[M]- 320.15302 175.4
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.