CID 5745713

Desoxymorphine-c

Structural Information

Molecular Formula
C17H19NO2
SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C=CC4
InChI
InChI=1S/C17H19NO2/c1-18-8-7-17-11-3-2-4-14(17)20-16-13(19)6-5-10(15(16)17)9-12(11)18/h2,4-6,11-12,14,19H,3,7-9H2,1H3/t11-,12+,14-,17+/m0/s1
InChIKey
HGKZQPWJBSSLJU-GMIGKAJZSA-N
Compound name
(4R,4aR,7aS,12bS)-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

269.14157 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.148846 160.2
[M+Na]+ 292.130788 167.2
[M-H]- 268.134294 163.5
[M+NH4]+ 287.175393 181.2
[M+K]+ 308.104728 162.9
[M+H-H2O]+ 252.138830 152.0
[M+HCOO]- 314.139771 170.4
[M+CH3COO]- 328.155421 170.7
[M+Na-2H]- 290.116236 165.5
[M]+ 269.14102142 158.6
[M]- 269.14211858 158.6
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