CID 10958098

N-isopropylnoratropine

Structural Information

Molecular Formula
C19H27NO3
SMILES
CC(C)N1[C@@H]2CC[C@H]1CC(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/t15-,16+,17?,18?
InChIKey
VORSMCHHJRVORT-OQSMONGASA-N
Compound name
[(1R,5S)-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 178.9
[M+Na]+ 340.18832 181.3
[M-H]- 316.19182 180.8
[M+NH4]+ 335.23292 194.0
[M+K]+ 356.16226 178.1
[M+H-H2O]+ 300.19636 171.4
[M+HCOO]- 362.19730 190.9
[M+CH3COO]- 376.21295 206.7
[M+Na-2H]- 338.17377 176.4
[M]+ 317.19855 176.5
[M]- 317.19965 176.5
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.