CID 442219

Erysotrine

Structural Information

Molecular Formula
C19H23NO3
SMILES
CO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
InChI
InChI=1S/C19H23NO3/c1-21-15-5-4-14-7-9-20-8-6-13-10-17(22-2)18(23-3)11-16(13)19(14,20)12-15/h4-5,7,10-11,15H,6,8-9,12H2,1-3H3/t15-,19-/m0/s1
InChIKey
WXVSPYOOFCCEII-KXBFYZLASA-N
Compound name
(2R,13bS)-2,11,12-trimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

6
Patents

313.1678 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17508 174.2
[M+Na]+ 336.15702 187.3
[M+NH4]+ 331.20162 185.1
[M+K]+ 352.13096 179.1
[M-H]- 312.16052 177.6
[M+Na-2H]- 334.14247 179.3
[M]+ 313.16725 177.2
[M]- 313.16835 177.2
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