CID 5492619

Methylcodeine

Structural Information

Molecular Formula
C19H23NO3
SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)OC
InChI
InChI=1S/C19H23NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,12-13,15,18H,8-10H2,1-3H3/t12-,13+,15-,18-,19-/m0/s1
InChIKey
HGPQAWTZLJXCTC-SSTWWWIQSA-N
Compound name
(4R,4aR,7S,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

162
Patents

313.1678 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17508 173.4
[M+Na]+ 336.15702 186.4
[M+NH4]+ 331.20162 185.1
[M+K]+ 352.13096 178.5
[M-H]- 312.16052 177.5
[M+Na-2H]- 334.14247 175.0
[M]+ 313.16725 176.7
[M]- 313.16835 176.7
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