CID 154577523

2418705-77-6

Structural Information

Molecular Formula
C22H24N2O2
SMILES
C1C2CNCC1CN(C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C22H24N2O2/c25-22(24-12-15-9-16(13-24)11-23-10-15)26-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,15-16,21,23H,9-14H2
InChIKey
PXLHEKMQZDNAAC-UHFFFAOYSA-N
Compound name
9H-fluoren-9-ylmethyl 3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.18378 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19106 182.3
[M+Na]+ 371.17300 186.3
[M-H]- 347.17650 184.5
[M+NH4]+ 366.21760 196.5
[M+K]+ 387.14694 179.4
[M+H-H2O]+ 331.18104 172.4
[M+HCOO]- 393.18198 191.6
[M+CH3COO]- 407.19763 189.6
[M+Na-2H]- 369.15845 183.9
[M]+ 348.18323 177.2
[M]- 348.18433 177.2
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.