CID 5486110

(-)-17-(2-(2-hydroxyethoxy)ethyl)morphinan-3-ol hydrochloride

Structural Information

Molecular Formula
C20H29NO3
SMILES
C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CCOCCO
InChI
InChI=1S/C20H29NO3/c22-10-12-24-11-9-21-8-7-20-6-2-1-3-17(20)19(21)13-15-4-5-16(23)14-18(15)20/h4-5,14,17,19,22-23H,1-3,6-13H2/t17-,19+,20+/m0/s1
InChIKey
NJQIRGPZORRLAB-DFQSSKMNSA-N
Compound name
(1R,9R,10R)-17-[2-(2-hydroxyethoxy)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.21475 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.222026 180.9
[M+Na]+ 354.203968 183.7
[M-H]- 330.207474 181.0
[M+NH4]+ 349.248573 196.1
[M+K]+ 370.177908 178.4
[M+H-H2O]+ 314.212010 171.6
[M+HCOO]- 376.212951 188.9
[M+CH3COO]- 390.228601 187.8
[M+Na-2H]- 352.189416 184.0
[M]+ 331.21420142 175.7
[M]- 331.21529858 175.7
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.