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 203.7
[M+Na]+ 463.22032 205.7
[M-H]- 439.22382 208.4
[M+NH4]+ 458.26492 214.2
[M+K]+ 479.19426 203.9
[M+H-H2O]+ 423.22836 191.8
[M+HCOO]- 485.22930 206.4
[M+CH3COO]- 499.24495 209.3
[M+Na-2H]- 461.20577 202.9
[M]+ 440.23055 203.5
[M]- 440.23165 203.5
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.