CID 75357248

N-propargylnoratropine

Structural Information

Molecular Formula
C19H23NO3
SMILES
C#CCN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3
InChI
InChI=1S/C19H23NO3/c1-2-10-20-15-8-9-16(20)12-17(11-15)23-19(22)18(13-21)14-6-4-3-5-7-14/h1,3-7,15-18,21H,8-13H2/t15-,16+,17?,18?
InChIKey
CJJQNGKKOTUYJH-OQSMONGASA-N
Compound name
[(1S,5R)-8-prop-2-ynyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17508 177.4
[M+Na]+ 336.15702 186.5
[M+NH4]+ 331.20162 180.9
[M+K]+ 352.13096 178.8
[M-H]- 312.16052 170.2
[M+Na-2H]- 334.14247 176.1
[M]+ 313.16725 175.5
[M]- 313.16835 175.5
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.