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]+ 332.22203 180.9
[M+Na]+ 354.20397 183.7
[M-H]- 330.20747 181.0
[M+NH4]+ 349.24857 196.1
[M+K]+ 370.17791 178.4
[M+H-H2O]+ 314.21201 171.6
[M+HCOO]- 376.21295 188.9
[M+CH3COO]- 390.22860 187.8
[M+Na-2H]- 352.18942 184.0
[M]+ 331.21420 175.7
[M]- 331.21530 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.