CID 10143

Isocorydine

Structural Information

Molecular Formula
C20H23NO4
SMILES
CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
InChI
InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1
InChIKey
QELDJEKNFOQJOY-ZDUSSCGKSA-N
Compound name
(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

53
References

294
Patents

341.16272 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17000 181.9
[M+Na]+ 364.15194 190.3
[M-H]- 340.15544 184.7
[M+NH4]+ 359.19654 197.2
[M+K]+ 380.12588 186.3
[M+H-H2O]+ 324.15998 173.1
[M+HCOO]- 386.16092 195.0
[M+CH3COO]- 400.17657 216.7
[M+Na-2H]- 362.13739 185.5
[M]+ 341.16217 186.2
[M]- 341.16327 186.2
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