CID 11336443

Erythrartine

Structural Information

Molecular Formula
C19H23NO4
SMILES
CO[C@@H]1C[C@@]23C(=CCN2C[C@@H](C4=CC(=C(C=C34)OC)OC)O)C=C1
InChI
InChI=1S/C19H23NO4/c1-22-13-5-4-12-6-7-20-11-16(21)14-8-17(23-2)18(24-3)9-15(14)19(12,20)10-13/h4-6,8-9,13,16,21H,7,10-11H2,1-3H3/t13-,16-,19-/m0/s1
InChIKey
QWWCVLZNFFVFTR-AXHNFQJDSA-N
Compound name
(2R,9R,13bS)-2,11,12-trimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

329.16272 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.169996 177.5
[M+Na]+ 352.151938 185.7
[M-H]- 328.155444 181.7
[M+NH4]+ 347.196543 196.3
[M+K]+ 368.125878 181.6
[M+H-H2O]+ 312.159980 169.8
[M+HCOO]- 374.160921 192.4
[M+CH3COO]- 388.176571 188.0
[M+Na-2H]- 350.137386 180.5
[M]+ 329.16217142 180.1
[M]- 329.16326858 180.1
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