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]+ 372.18056 188.6
[M+Na]+ 394.16250 202.6
[M+NH4]+ 389.20710 196.5
[M+K]+ 410.13644 195.2
[M-H]- 370.16600 191.3
[M+Na-2H]- 392.14795 191.0
[M]+ 371.17273 191.4
[M]- 371.17383 191.4
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.