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]+ 314.175076 177.3
[M+Na]+ 336.157018 184.1
[M-H]- 312.160524 177.4
[M+NH4]+ 331.201623 190.8
[M+K]+ 352.130958 175.9
[M+H-H2O]+ 296.165060 163.9
[M+HCOO]- 358.166001 185.7
[M+CH3COO]- 372.181651 209.9
[M+Na-2H]- 334.142466 175.3
[M]+ 313.16725142 169.6
[M]- 313.16834858 169.6
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