CID 5492874

6-methylenedihydroepoxymorphine

Structural Information

Molecular Formula
C18H21NO2
SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(=C)CC4
InChI
InChI=1S/C18H21NO2/c1-10-3-5-12-13-9-11-4-6-14(20)16-15(11)18(12,17(10)21-16)7-8-19(13)2/h4,6,12-13,17,20H,1,3,5,7-9H2,2H3/t12-,13+,17-,18-/m0/s1
InChIKey
LBCZKDPFDXFDTN-GGNLRSJOSA-N
Compound name
(4R,4aR,7aS,12bS)-3-methyl-7-methylidene-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

283.15723 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 166.5
[M+Na]+ 306.14645 178.8
[M+NH4]+ 301.19105 178.3
[M+K]+ 322.12039 171.1
[M-H]- 282.14995 170.2
[M+Na-2H]- 304.13190 167.3
[M]+ 283.15668 169.5
[M]- 283.15778 169.5
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