CID 6602263

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

Structural Information

Molecular Formula
C25H34N2O5
SMILES
CC(=O)O[C@H]1CC[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OCCN6CCOCC6)CCN3C
InChI
InChI=1S/C25H34N2O5/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/h3,5,18-19,21,24H,4,6-15H2,1-2H3/t18-,19+,21-,24-,25-/m0/s1
InChIKey
WSXSXRKHMRCOJG-ASDQOZNMSA-N
Compound name
[(4R,4aR,7S,7aR,12bS)-3-methyl-9-(2-morpholin-4-ylethoxy)-2,4,4a,5,6,7,7a,13-octahydro-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

442.24677 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.25405 204.5
[M+Na]+ 465.23599 205.5
[M-H]- 441.23949 208.6
[M+NH4]+ 460.28059 214.7
[M+K]+ 481.20993 203.7
[M+H-H2O]+ 425.24403 192.6
[M+HCOO]- 487.24497 205.7
[M+CH3COO]- 501.26062 209.5
[M+Na-2H]- 463.22144 202.7
[M]+ 442.24622 202.8
[M]- 442.24732 202.8
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.