CID 197213

9-o-ethyl lycorenine

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]+ 346.201276 183.1
[M+Na]+ 368.183218 190.5
[M-H]- 344.186724 188.1
[M+NH4]+ 363.227823 199.2
[M+K]+ 384.157158 187.9
[M+H-H2O]+ 328.191260 175.4
[M+HCOO]- 390.192201 196.4
[M+CH3COO]- 404.207851 216.7
[M+Na-2H]- 366.168666 184.2
[M]+ 345.19345142 187.0
[M]- 345.19454858 187.0
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.