CID 6602260

Morhinone, dihydro-o3-2-morpholinoethyl-, ditartrate

Structural Information

Molecular Formula
C23H30N2O4
SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OCCN6CCOCC6)O[C@H]3C(=O)CC4
InChI
InChI=1S/C23H30N2O4/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/h2,5,16-17,22H,3-4,6-14H2,1H3/t16-,17+,22-,23-/m0/s1
InChIKey
DJJQZPXSTMOREE-TXKCWOHGSA-N
Compound name
(4R,4aR,7aR,12bS)-3-methyl-9-(2-morpholin-4-ylethoxy)-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.22055 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.22783 198.1
[M+Na]+ 421.20977 209.0
[M+NH4]+ 416.25437 208.0
[M+K]+ 437.18371 201.8
[M-H]- 397.21327 203.7
[M+Na-2H]- 419.19522 197.3
[M]+ 398.22000 201.3
[M]- 398.22110 201.3
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.