CID 160473

Homolycorine

Structural Information

Molecular Formula
C18H21NO4
SMILES
CN1CCC2=CC[C@@H]3[C@H]([C@@H]21)C4=CC(=C(C=C4C(=O)O3)OC)OC
InChI
InChI=1S/C18H21NO4/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/h4,8-9,13,16-17H,5-7H2,1-3H3/t13-,16-,17-/m1/s1
InChIKey
WXZAKVLYZHWSNF-KBRIMQKVSA-N
Compound name
(5aR,11bS,11cS)-9,10-dimethoxy-1-methyl-2,3,5,5a,11b,11c-hexahydroisochromeno[3,4-g]indol-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

53
Patents

315.14706 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.15434 172.4
[M+Na]+ 338.13628 181.1
[M-H]- 314.13978 177.8
[M+NH4]+ 333.18088 189.6
[M+K]+ 354.11022 178.2
[M+H-H2O]+ 298.14432 165.2
[M+HCOO]- 360.14526 186.6
[M+CH3COO]- 374.16091 183.6
[M+Na-2H]- 336.12173 174.6
[M]+ 315.14651 175.0
[M]- 315.14761 175.0
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

patents stripe