CID 5486041

(-)-17-(2-(2-furyl)ethyl)-3-methoxymorphinan tartrate

Structural Information

Molecular Formula
C23H29NO2
SMILES
COC1=CC2=C(C[C@@H]3[C@H]4[C@@]2(CCCC4)CCN3CCC5=CC=CO5)C=C1
InChI
InChI=1S/C23H29NO2/c1-25-19-8-7-17-15-22-20-6-2-3-10-23(20,21(17)16-19)11-13-24(22)12-9-18-5-4-14-26-18/h4-5,7-8,14,16,20,22H,2-3,6,9-13,15H2,1H3/t20-,22+,23+/m0/s1
InChIKey
CPTGBMIVOKLNKH-MDNUFGMLSA-N
Compound name
(1R,9R,10R)-17-[2-(furan-2-yl)ethyl]-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.21982 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.22710 188.3
[M+Na]+ 374.20904 201.3
[M+NH4]+ 369.25364 199.8
[M+K]+ 390.18298 191.8
[M-H]- 350.21254 195.2
[M+Na-2H]- 372.19449 193.4
[M]+ 351.21927 192.4
[M]- 351.22037 192.4
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.