CID 12442859

Noratropine

Structural Information

Molecular Formula
C16H21NO3
SMILES
C1C[C@H]2CC(C[C@@H]1N2)OC(=O)C(CO)C3=CC=CC=C3
InChI
InChI=1S/C16H21NO3/c18-10-15(11-4-2-1-3-5-11)16(19)20-14-8-12-6-7-13(9-14)17-12/h1-5,12-15,17-18H,6-10H2/t12-,13+,14?,15?
InChIKey
ATKYNAZQGVYHIB-DGKWVBSXSA-N
Compound name
[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

162
Patents

275.15213 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 165.1
[M+Na]+ 298.14135 173.7
[M+NH4]+ 293.18595 172.5
[M+K]+ 314.11529 170.2
[M-H]- 274.14485 165.7
[M+Na-2H]- 296.12680 167.1
[M]+ 275.15158 166.1
[M]- 275.15268 166.1
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

patents stripe