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

2
Annotation Hits: 0
References: 47
Patents: 317.1991 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	318.206376	178.9
[M+Na]+	340.188318	181.3
[M-H]-	316.191824	180.8
[M+NH4]+	335.232923	194.0
[M+K]+	356.162258	178.1
[M+H-H2O]+	300.196360	171.4
[M+HCOO]-	362.197301	190.9
[M+CH3COO]-	376.212951	206.7
[M+Na-2H]-	338.173766	176.4
[M]+	317.19855142	176.5
[M]-	317.19964858	176.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe