CID 3050239

6,7-dimethyl-6,7-diazabicyclo(3.2.2)non-3-alpha-yl tropate

Structural Information

Molecular Formula
C18H26N2O3
SMILES
CN1[C@@H]2CC[C@H](N1C)CC(C2)OC(=O)C(CO)C3=CC=CC=C3
InChI
InChI=1S/C18H26N2O3/c1-19-14-8-9-15(20(19)2)11-16(10-14)23-18(22)17(12-21)13-6-4-3-5-7-13/h3-7,14-17,21H,8-12H2,1-2H3/t14-,15+,16?,17?
InChIKey
CMETZZJMYSIMKL-RYTJFDOTSA-N
Compound name
[(1R,5S)-6,7-dimethyl-6,7-diazabicyclo[3.2.2]nonan-3-yl] 3-hydroxy-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.19434 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.20162 161.1
[M+Na]+ 341.18356 165.6
[M+NH4]+ 336.22816 166.3
[M+K]+ 357.15750 164.2
[M-H]- 317.18706 158.6
[M+Na-2H]- 339.16901 159.3
[M]+ 318.19379 160.8
[M]- 318.19489 160.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.