CID 5486611

Pseudocodeine

Structural Information

Molecular Formula
C18H21NO3
SMILES
CN1CC[C@]23[C@@H]4C=C[C@@H]([C@H]2[C@H]1CC5=C3C(=C(C=C5)OC)O4)O
InChI
InChI=1S/C18H21NO3/c1-19-8-7-18-14-6-4-12(20)16(18)11(19)9-10-3-5-13(21-2)17(22-14)15(10)18/h3-6,11-12,14,16,20H,7-9H2,1-2H3/t11-,12+,14+,16-,18-/m1/s1
InChIKey
KYIVACLUFRUFLS-CVXFFHBFSA-N
Compound name
(4R,4aR,5S,7aS,12bS)-9-methoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

299.15213 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 169.0
[M+Na]+ 322.14135 181.7
[M+NH4]+ 317.18595 180.6
[M+K]+ 338.11529 174.4
[M-H]- 298.14485 172.7
[M+Na-2H]- 320.12680 170.4
[M]+ 299.15158 172.1
[M]- 299.15268 172.1
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

patents stripe