Morhinone, dihydro-o3-2-morpholinoethyl-, ditartrate (C23H30N2O4)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	399.227826	193.1
[M+Na]+	421.209768	195.7
[M-H]-	397.213274	197.7
[M+NH4]+	416.254373	205.4
[M+K]+	437.183708	192.9
[M+H-H2O]+	381.217810	181.2
[M+HCOO]-	443.218751	196.1
[M+CH3COO]-	457.234401	199.4
[M+Na-2H]-	419.195216	193.0
[M]+	398.22000142	190.1
[M]-	398.22109858	190.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

399.227826

193.1

[M+Na]+

421.209768

195.7

[M-H]-

397.213274

197.7

[M+NH4]+

416.254373

205.4

[M+K]+

437.183708

192.9

[M+H-H2O]+

381.217810

181.2

[M+HCOO]-

443.218751

196.1

[M+CH3COO]-

457.234401

199.4

[M+Na-2H]-

419.195216

193.0

[M]+

398.22000142

190.1

[M]-

398.22109858

190.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe