CID 217318

Oxymethyltropacine

Structural Information

Molecular Formula
C23H27NO3
SMILES
CN1C2CCC1CC(C2)OC(=O)C(CO)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H27NO3/c1-24-19-12-13-20(24)15-21(14-19)27-22(26)23(16-25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19-21,25H,12-16H2,1H3
InChIKey
LAHZEAWORMLOOB-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2,2-diphenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1991 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.20638 189.1
[M+Na]+ 388.18832 200.1
[M+NH4]+ 383.23292 196.8
[M+K]+ 404.16226 194.9
[M-H]- 364.19182 192.5
[M+Na-2H]- 386.17377 194.2
[M]+ 365.19855 191.5
[M]- 365.19965 191.5
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.