CID 211503

Methyl reserpate ethyl ether maleate

Structural Information

Molecular Formula
C25H34N2O5
SMILES
CCO[C@@H]1C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]([C@H]1OC)C(=O)OC)NC5=C4C=CC(=C5)OC
InChI
InChI=1S/C25H34N2O5/c1-5-32-21-10-14-13-27-9-8-17-16-7-6-15(29-2)11-19(16)26-23(17)20(27)12-18(14)22(24(21)30-3)25(28)31-4/h6-7,11,14,18,20-22,24,26H,5,8-10,12-13H2,1-4H3/t14-,18+,20-,21-,22+,24+/m1/s1
InChIKey
HJPNNIBPMMYVBA-XELGFBSKSA-N
Compound name
methyl (1R,15S,17R,18R,19S,20S)-17-ethoxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.24677 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.25405 209.3
[M+Na]+ 465.23599 219.8
[M+NH4]+ 460.28059 216.1
[M+K]+ 481.20993 214.9
[M-H]- 441.23949 210.4
[M+Na-2H]- 463.22144 207.3
[M]+ 442.24622 210.9
[M]- 442.24732 210.9
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.