CID 5492806

Morphinan-6-one, 3,14-dihydroxy-4-methoxy-17-methyl-

Structural Information

Molecular Formula
C18H23NO4
SMILES
CN1CC[C@]23CC(=O)CC[C@]2([C@H]1CC4=C3C(=C(C=C4)O)OC)O
InChI
InChI=1S/C18H23NO4/c1-19-8-7-17-10-12(20)5-6-18(17,22)14(19)9-11-3-4-13(21)16(23-2)15(11)17/h3-4,14,21-22H,5-10H2,1-2H3/t14-,17-,18-/m1/s1
InChIKey
GNBSSNJTGGTICE-ZTFGCOKTSA-N
Compound name
(1R,9R,10S)-4,10-dihydroxy-3-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

317.16272 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.169996 174.6
[M+Na]+ 340.151938 181.6
[M-H]- 316.155444 176.3
[M+NH4]+ 335.196543 193.1
[M+K]+ 356.125878 177.2
[M+H-H2O]+ 300.159980 166.5
[M+HCOO]- 362.160921 183.6
[M+CH3COO]- 376.176571 183.6
[M+Na-2H]- 338.137386 178.9
[M]+ 317.16217142 171.0
[M]- 317.16326858 171.0
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