CID 442218

Erysonine

Structural Information

Molecular Formula
C17H19NO3
SMILES
COC1=C(C=C2CCN3CC=C4[C@]3(C2=C1)C[C@H](C=C4)O)O
InChI
InChI=1S/C17H19NO3/c1-21-16-9-14-11(8-15(16)20)4-6-18-7-5-12-2-3-13(19)10-17(12,14)18/h2-3,5,8-9,13,19-20H,4,6-7,10H2,1H3/t13-,17-/m0/s1
InChIKey
OOQFZQDSQKMUFW-GUYCJALGSA-N
Compound name
(2R,13bS)-12-methoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline-2,11-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

285.1365 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.143776 165.9
[M+Na]+ 308.125718 174.0
[M-H]- 284.129224 168.8
[M+NH4]+ 303.170323 185.6
[M+K]+ 324.099658 168.7
[M+H-H2O]+ 268.133760 158.8
[M+HCOO]- 330.134701 179.9
[M+CH3COO]- 344.150351 176.5
[M+Na-2H]- 306.111166 170.0
[M]+ 285.13595142 164.3
[M]- 285.13704858 164.3
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