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 183.1
[M+Na]+ 368.18322 190.5
[M-H]- 344.18672 188.1
[M+NH4]+ 363.22782 199.2
[M+K]+ 384.15716 187.9
[M+H-H2O]+ 328.19126 175.4
[M+HCOO]- 390.19220 196.4
[M+CH3COO]- 404.20785 216.7
[M+Na-2H]- 366.16867 184.2
[M]+ 345.19345 187.0
[M]- 345.19455 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.