CID 5464195

Dihydromorpholylethylmorphine

Structural Information

Molecular Formula
C23H32N2O4
SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OCCN6CCOCC6)O[C@H]3[C@H](CC4)O
InChI
InChI=1S/C23H32N2O4/c1-24-7-6-23-16-3-4-18(26)22(23)29-21-19(5-2-15(20(21)23)14-17(16)24)28-13-10-25-8-11-27-12-9-25/h2,5,16-18,22,26H,3-4,6-14H2,1H3/t16-,17+,18-,22-,23-/m0/s1
InChIKey
QUNZXBXIXOIUFP-FKQDBXSBSA-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-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.2362 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.243476 194.1
[M+Na]+ 423.225418 196.1
[M-H]- 399.228924 197.4
[M+NH4]+ 418.270023 205.8
[M+K]+ 439.199358 193.1
[M+H-H2O]+ 383.233460 182.6
[M+HCOO]- 445.234401 195.4
[M+CH3COO]- 459.250051 199.8
[M+Na-2H]- 421.210866 193.8
[M]+ 400.23565142 190.3
[M]- 400.23674858 190.3
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.