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 208.0
[M+Na]+ 465.23599 212.6
[M-H]- 441.23949 209.5
[M+NH4]+ 460.28059 219.4
[M+K]+ 481.20993 207.7
[M+H-H2O]+ 425.24403 198.5
[M+HCOO]- 487.24497 214.5
[M+CH3COO]- 501.26062 214.0
[M+Na-2H]- 463.22144 205.5
[M]+ 442.24622 209.0
[M]- 442.24732 209.0
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

No patent data available for this compound.