CID 3042300

13-alpha-hydroxyxylopinine

Structural Information

Molecular Formula
C21H25NO5
SMILES
COC1=C(C=C2[C@@H]3[C@H](C4=CC(=C(C=C4CN3CCC2=C1)OC)OC)O)OC
InChI
InChI=1S/C21H25NO5/c1-24-16-7-12-5-6-22-11-13-8-17(25-2)19(27-4)10-15(13)21(23)20(22)14(12)9-18(16)26-3/h7-10,20-21,23H,5-6,11H2,1-4H3/t20-,21+/m1/s1
InChIKey
GJYZSDLAHXVPNH-RTWAWAEBSA-N
Compound name
(13S,13aR)-2,3,10,11-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-13-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.17328 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.180556 188.0
[M+Na]+ 394.162498 195.8
[M-H]- 370.166004 191.2
[M+NH4]+ 389.207103 201.6
[M+K]+ 410.136438 192.3
[M+H-H2O]+ 354.170540 178.8
[M+HCOO]- 416.171481 200.8
[M+CH3COO]- 430.187131 220.8
[M+Na-2H]- 392.147946 190.9
[M]+ 371.17273142 192.2
[M]- 371.17382858 192.2
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.