CID 20625249

N-isopropyl noratropine

Structural Information

Molecular Formula
C19H27NO3
SMILES
CC(C)N1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3
InChI
InChI=1S/C19H27NO3/c1-13(2)20-15-8-9-16(20)11-17(10-15)23-19(22)18(12-21)14-6-4-3-5-7-14/h3-7,13,15-18,21H,8-12H2,1-2H3
InChIKey
VORSMCHHJRVORT-UHFFFAOYSA-N
Compound name
(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

317.1991 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.20638 177.2
[M+Na]+ 340.18832 185.7
[M+NH4]+ 335.23292 184.3
[M+K]+ 356.16226 182.2
[M-H]- 316.19182 178.0
[M+Na-2H]- 338.17377 178.4
[M]+ 317.19855 178.2
[M]- 317.19965 178.2
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

patents stripe