CID 56843406

3,14-diacetyloxymorphone

Structural Information

Molecular Formula
C21H23NO6
SMILES
CC(=O)OC1=C2C3=C(C[C@@H]4[C@]5([C@]3(CCN4C)[C@@H](O2)C(=O)CC5)OC(=O)C)C=C1
InChI
InChI=1S/C21H23NO6/c1-11(23)26-15-5-4-13-10-16-21(28-12(2)24)7-6-14(25)19-20(21,8-9-22(16)3)17(13)18(15)27-19/h4-5,16,19H,6-10H2,1-3H3/t16-,19+,20+,21-/m1/s1
InChIKey
OPPSZLCGCWIRIA-MBPVOVBZSA-N
Compound name
[(4R,4aS,7aR,12bS)-4a-acetyloxy-3-methyl-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

385.15253 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.15981 188.3
[M+Na]+ 408.14175 197.7
[M+NH4]+ 403.18635 198.1
[M+K]+ 424.11569 191.0
[M-H]- 384.14525 189.3
[M+Na-2H]- 406.12720 188.1
[M]+ 385.15198 190.0
[M]- 385.15308 190.0
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

patents stripe