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 186.3
[M+Na]+ 374.20904 190.3
[M-H]- 350.21254 193.0
[M+NH4]+ 369.25364 202.2
[M+K]+ 390.18298 185.5
[M+H-H2O]+ 334.21708 175.6
[M+HCOO]- 396.21802 197.4
[M+CH3COO]- 410.23367 194.7
[M+Na-2H]- 372.19449 187.6
[M]+ 351.21927 182.7
[M]- 351.22037 182.7
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.