CID 200685

Oxymethylatropine

Structural Information

Molecular Formula
C18H25NO4
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)(CO)C3=CC=CC=C3
InChI
InChI=1S/C18H25NO4/c1-19-14-7-8-15(19)10-16(9-14)23-17(22)18(11-20,12-21)13-5-3-2-4-6-13/h2-6,14-16,20-21H,7-12H2,1H3/t14-,15+,16?
InChIKey
ICTCLIOSQZBOFS-XYPWUTKMSA-N
Compound name
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-(hydroxymethyl)-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

319.17834 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.18562 175.4
[M+Na]+ 342.16756 183.4
[M+NH4]+ 337.21216 181.7
[M+K]+ 358.14150 180.7
[M-H]- 318.17106 175.0
[M+Na-2H]- 340.15301 176.6
[M]+ 319.17779 176.0
[M]- 319.17889 176.0
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