CID 440229

483-34-1

Structural Information

Molecular Formula
C20H23NO4
SMILES
COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC
InChI
InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1
InChIKey
KDFKJOFJHSVROC-INIZCTEOSA-N
Compound name
(13aS)-3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

262
Patents

341.16272 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.169996 180.2
[M+Na]+ 364.151938 187.9
[M-H]- 340.155444 183.3
[M+NH4]+ 359.196543 194.9
[M+K]+ 380.125878 183.6
[M+H-H2O]+ 324.159980 171.2
[M+HCOO]- 386.160921 193.3
[M+CH3COO]- 400.176571 189.7
[M+Na-2H]- 362.137386 184.2
[M]+ 341.16217142 182.2
[M]- 341.16326858 182.2
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