CID 197213

9-o-ethyl lycorenine hydrochloride

Structural Information

Molecular Formula
C20H27NO4
SMILES
CCO[C@@H]1C2=CC(=C(C=C2[C@@H]3[C@H](O1)CC=C4[C@H]3N(CC4)C)OC)OC
InChI
InChI=1S/C20H27NO4/c1-5-24-20-14-11-17(23-4)16(22-3)10-13(14)18-15(25-20)7-6-12-8-9-21(2)19(12)18/h6,10-11,15,18-20H,5,7-9H2,1-4H3/t15-,18-,19-,20+/m1/s1
InChIKey
DGLMQLKBFKVPKX-XLNTUCKNSA-N
Compound name
(5aR,7S,11bS,11cS)-7-ethoxy-9,10-dimethoxy-1-methyl-3,5,5a,7,11b,11c-hexahydro-2H-isochromeno[3,4-g]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.194 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.20128 182.9
[M+Na]+ 368.18322 195.3
[M+NH4]+ 363.22782 191.5
[M+K]+ 384.15716 190.0
[M-H]- 344.18672 186.7
[M+Na-2H]- 366.16867 183.4
[M]+ 345.19345 185.8
[M]- 345.19455 185.8
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.