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

6
Patents

281.14157 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14885 165.1
[M+Na]+ 304.13079 180.6
[M+NH4]+ 299.17539 175.3
[M+K]+ 320.10473 171.7
[M-H]- 280.13429 168.8
[M+Na-2H]- 302.11624 169.6
[M]+ 281.14102 168.6
[M]- 281.14212 168.6
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