CID 6602262

Morphinan-6-alpha-ol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-3-(2-morpholinoethoxy)acetate bis(hydrogentartrate)

Structural Information

Molecular Formula
C25H32N2O5
SMILES
CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OCCN6CCOCC6)CCN3C
InChI
InChI=1S/C25H32N2O5/c1-16(28)31-21-6-4-18-19-15-17-3-5-20(30-14-11-27-9-12-29-13-10-27)23-22(17)25(18,24(21)32-23)7-8-26(19)2/h3-6,18-19,21,24H,7-15H2,1-2H3/t18-,19+,21-,24-,25-/m0/s1
InChIKey
ZBKJHUMNFXWYMC-ASDQOZNMSA-N
Compound name
[(4R,4aR,7S,7aR,12bS)-3-methyl-9-(2-morpholin-4-ylethoxy)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.2311 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.23838 207.5
[M+Na]+ 463.22032 218.1
[M+NH4]+ 458.26492 216.4
[M+K]+ 479.19426 211.5
[M-H]- 439.22382 212.5
[M+Na-2H]- 461.20577 206.4
[M]+ 440.23055 210.5
[M]- 440.23165 210.5
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.