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]+ 401.24348 194.1
[M+Na]+ 423.22542 196.1
[M-H]- 399.22892 197.4
[M+NH4]+ 418.27002 205.8
[M+K]+ 439.19936 193.1
[M+H-H2O]+ 383.23346 182.6
[M+HCOO]- 445.23440 195.4
[M+CH3COO]- 459.25005 199.8
[M+Na-2H]- 421.21087 193.8
[M]+ 400.23565 190.3
[M]- 400.23675 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.