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 189.0
[M+Na]+ 374.24545 189.9
[M-H]- 350.24895 192.3
[M+NH4]+ 369.29005 203.2
[M+K]+ 390.21939 182.8
[M+H-H2O]+ 334.25349 177.0
[M+HCOO]- 396.25443 195.1
[M+CH3COO]- 410.27008 194.7
[M+Na-2H]- 372.23090 189.7
[M]+ 351.25568 178.0
[M]- 351.25678 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.