CID 12306652

Annopodine

Structural Information

Molecular Formula
C17H25NO3
SMILES
C[C@H]1C[C@@]23[C@@H]4CCCN2C[C@@H]1CC3=C(C[C@H]4O)C(=O)OC
InChI
InChI=1S/C17H25NO3/c1-10-8-17-13-4-3-5-18(17)9-11(10)6-14(17)12(7-15(13)19)16(20)21-2/h10-11,13,15,19H,3-9H2,1-2H3/t10-,11-,13+,15+,17-/m0/s1
InChIKey
QLVYEQJRDUIHRS-SXBHSIJNSA-N
Compound name
methyl (1R,7S,8R,12S,14S)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.03,12.07,12]pentadec-10-ene-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.18344 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.190716 167.5
[M+Na]+ 314.172658 169.7
[M-H]- 290.176164 164.0
[M+NH4]+ 309.217263 187.7
[M+K]+ 330.146598 166.2
[M+H-H2O]+ 274.180700 159.3
[M+HCOO]- 336.181641 169.9
[M+CH3COO]- 350.197291 174.5
[M+Na-2H]- 312.158106 173.0
[M]+ 291.18289142 165.5
[M]- 291.18398858 165.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.