CID 160472

Lycorenine

Structural Information

Molecular Formula
C18H23NO4
SMILES
CN1CCC2=CC[C@@H]3[C@H]([C@@H]21)C4=CC(=C(C=C4[C@H](O3)O)OC)OC
InChI
InChI=1S/C18H23NO4/c1-19-7-6-10-4-5-13-16(17(10)19)11-8-14(21-2)15(22-3)9-12(11)18(20)23-13/h4,8-9,13,16-18,20H,5-7H2,1-3H3/t13-,16-,17-,18+/m1/s1
InChIKey
VHYYSQODIQWPDO-PILAGYSTSA-N
Compound name
(5aR,7S,11bS,11cS)-9,10-dimethoxy-1-methyl-3,5,5a,7,11b,11c-hexahydro-2H-isochromeno[3,4-g]indol-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

49
Patents

317.16272 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.169996 173.8
[M+Na]+ 340.151938 181.8
[M-H]- 316.155444 177.9
[M+NH4]+ 335.196543 190.4
[M+K]+ 356.125878 178.8
[M+H-H2O]+ 300.159980 166.9
[M+HCOO]- 362.160921 186.3
[M+CH3COO]- 376.176571 184.3
[M+Na-2H]- 338.137386 175.7
[M]+ 317.16217142 175.4
[M]- 317.16326858 175.4
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

patents stripe