CID 169017

Erysodine

Structural Information

Molecular Formula
C18H21NO3
SMILES
CO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)O)C=C1
InChI
InChI=1S/C18H21NO3/c1-21-14-4-3-13-6-8-19-7-5-12-9-16(20)17(22-2)10-15(12)18(13,19)11-14/h3-4,6,9-10,14,20H,5,7-8,11H2,1-2H3/t14-,18-/m0/s1
InChIKey
BDIVMECULLJBMU-KSSFIOAISA-N
Compound name
(2R,13bS)-2,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-11-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

169
Patents

299.15213 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 170.2
[M+Na]+ 322.14135 178.2
[M-H]- 298.14485 174.3
[M+NH4]+ 317.18595 190.1
[M+K]+ 338.11529 173.6
[M+H-H2O]+ 282.14939 162.5
[M+HCOO]- 344.15033 185.4
[M+CH3COO]- 358.16598 181.0
[M+Na-2H]- 320.12680 174.1
[M]+ 299.15158 170.6
[M]- 299.15268 170.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.