CID 10165

Capauridin

Structural Information

Molecular Formula
C21H25NO5
SMILES
COC1=C(C2=C(CC3C4=C(C(=C(C=C4CCN3C2)OC)OC)O)C=C1)OC
InChI
InChI=1S/C21H25NO5/c1-24-16-6-5-12-9-15-18-13(10-17(25-2)21(27-4)19(18)23)7-8-22(15)11-14(12)20(16)26-3/h5-6,10,15,23H,7-9,11H2,1-4H3
InChIKey
GSPIMPLJQOCBFY-UHFFFAOYSA-N
Compound name
2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

37
Patents

371.17328 Da
Monoisotopic Mass

2.9
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

literature stripe

Patent stripe

patents stripe