CID 5486090

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

Structural Information

Molecular Formula
C24H33NO
SMILES
C1CCC(=CC1)CCN2CC[C@]34CCCC[C@H]3[C@H]2CC5=C4C=C(C=C5)O
InChI
InChI=1S/C24H33NO/c26-20-10-9-19-16-23-21-8-4-5-12-24(21,22(19)17-20)13-15-25(23)14-11-18-6-2-1-3-7-18/h6,9-10,17,21,23,26H,1-5,7-8,11-16H2/t21-,23+,24+/m0/s1
InChIKey
CGYSIPVJZBIIIS-QPTUXGOLSA-N
Compound name
(1R,9R,10R)-17-[2-(cyclohexen-1-yl)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

351.25623 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.263506 189.0
[M+Na]+ 374.245448 189.9
[M-H]- 350.248954 192.3
[M+NH4]+ 369.290053 203.2
[M+K]+ 390.219388 182.8
[M+H-H2O]+ 334.253490 177.0
[M+HCOO]- 396.254431 195.1
[M+CH3COO]- 410.270081 194.7
[M+Na-2H]- 372.230896 189.7
[M]+ 351.25568142 178.0
[M]- 351.25677858 178.0
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

No patent data available for this compound.