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]+ 352.26351 192.2
[M+Na]+ 374.24545 204.7
[M+NH4]+ 369.29005 204.0
[M+K]+ 390.21939 192.4
[M-H]- 350.24895 198.3
[M+Na-2H]- 372.23090 197.5
[M]+ 351.25568 195.9
[M]- 351.25678 195.9
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.