CID 217214

Isoapocodeine hydrochloride

Structural Information

Molecular Formula
C18H19NO2
SMILES
CN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)O)OC
InChI
InChI=1S/C18H19NO2/c1-19-9-8-11-4-3-5-13-16(11)14(19)10-12-6-7-15(20)18(21-2)17(12)13/h3-7,14,20H,8-10H2,1-2H3/t14-/m1/s1
InChIKey
SMJNKYXAZPPMTE-CQSZACIVSA-N
Compound name
(6aR)-11-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

18
Patents

281.14157 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.148846 165.5
[M+Na]+ 304.130788 173.7
[M-H]- 280.134294 168.1
[M+NH4]+ 299.175393 183.0
[M+K]+ 320.104728 168.3
[M+H-H2O]+ 264.138830 157.2
[M+HCOO]- 326.139771 179.3
[M+CH3COO]- 340.155421 176.0
[M+Na-2H]- 302.116236 171.4
[M]+ 281.14102142 165.5
[M]- 281.14211858 165.5
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