CID 5492906

Morphinan-14-ol, 4-ethoxy-3-methoxy-17-methyl-

Structural Information

Molecular Formula
C20H29NO3
SMILES
CCOC1=C(C=CC2=C1[C@@]34CCCC[C@]3([C@@H](C2)N(CC4)C)O)OC
InChI
InChI=1S/C20H29NO3/c1-4-24-18-15(23-3)8-7-14-13-16-20(22)10-6-5-9-19(20,17(14)18)11-12-21(16)2/h7-8,16,22H,4-6,9-13H2,1-3H3/t16-,19+,20-/m1/s1
InChIKey
XQTNELVGEPXQFW-LSTHTHJFSA-N
Compound name
(1S,9R,10S)-3-ethoxy-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-10-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.21475 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.222026 181.6
[M+Na]+ 354.203968 186.9
[M-H]- 330.207474 183.8
[M+NH4]+ 349.248573 199.9
[M+K]+ 370.177908 182.6
[M+H-H2O]+ 314.212010 172.2
[M+HCOO]- 376.212951 191.0
[M+CH3COO]- 390.228601 189.9
[M+Na-2H]- 352.189416 185.3
[M]+ 331.21420142 178.9
[M]- 331.21529858 178.9
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

No patent data available for this compound.