CID 5483929

(-)-3-methoxy-17-methyl-10-oxomorphinan

Structural Information

Molecular Formula
C18H23NO2
SMILES
CN1CC[C@]23CCCC[C@H]2[C@H]1C(=O)C4=C3C=C(C=C4)OC
InChI
InChI=1S/C18H23NO2/c1-19-10-9-18-8-4-3-5-14(18)16(19)17(20)13-7-6-12(21-2)11-15(13)18/h6-7,11,14,16H,3-5,8-10H2,1-2H3/t14-,16-,18+/m0/s1
InChIKey
UOCRGKKCNCIQCZ-QILLFSRXSA-N
Compound name
(1R,9S,10R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-8-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

285.17288 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 169.3
[M+Na]+ 308.16210 182.4
[M+NH4]+ 303.20670 180.7
[M+K]+ 324.13604 171.9
[M-H]- 284.16560 173.1
[M+Na-2H]- 306.14755 174.0
[M]+ 285.17233 172.4
[M]- 285.17343 172.4
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