CID 5486092

(-)-17-(2-diethylaminoethyl)morphinan-3-ol hydrochloride

Structural Information

Molecular Formula
C22H34N2O
SMILES
CCN(CC)CCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O
InChI
InChI=1S/C22H34N2O/c1-3-23(4-2)13-14-24-12-11-22-10-6-5-7-19(22)21(24)15-17-8-9-18(25)16-20(17)22/h8-9,16,19,21,25H,3-7,10-15H2,1-2H3/t19-,21+,22+/m0/s1
InChIKey
CTUZBDABWJIVGI-KSEOMHKRSA-N
Compound name
(1R,9R,10R)-17-[2-(diethylamino)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

342.26712 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.27440 186.1
[M+Na]+ 365.25634 187.9
[M-H]- 341.25984 188.3
[M+NH4]+ 360.30094 201.9
[M+K]+ 381.23028 182.9
[M+H-H2O]+ 325.26438 175.9
[M+HCOO]- 387.26532 196.0
[M+CH3COO]- 401.28097 193.0
[M+Na-2H]- 363.24179 187.9
[M]+ 342.26657 180.7
[M]- 342.26767 180.7
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.