CID 208934

Espatropate

Structural Information

Molecular Formula
C19H23N3O3
SMILES
C1CN2CCC1[C@H](C2)OC(=O)[C@](CO)(C3=CC=CC=C3)N4C=CN=C4
InChI
InChI=1S/C19H23N3O3/c23-13-19(22-11-8-20-14-22,16-4-2-1-3-5-16)18(24)25-17-12-21-9-6-15(17)7-10-21/h1-5,8,11,14-15,17,23H,6-7,9-10,12-13H2/t17-,19-/m0/s1
InChIKey
MDJOZYCYNUJABP-HKUYNNGSSA-N
Compound name
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2R)-3-hydroxy-2-imidazol-1-yl-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

413
Patents

341.17395 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.181226 176.1
[M+Na]+ 364.163168 177.6
[M-H]- 340.166674 173.1
[M+NH4]+ 359.207773 189.9
[M+K]+ 380.137108 174.0
[M+H-H2O]+ 324.171210 167.3
[M+HCOO]- 386.172151 181.3
[M+CH3COO]- 400.187801 182.4
[M+Na-2H]- 362.148616 183.9
[M]+ 341.17340142 176.7
[M]- 341.17449858 176.7
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.