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 193.1
[M+Na]+ 421.20977 195.7
[M-H]- 397.21327 197.7
[M+NH4]+ 416.25437 205.4
[M+K]+ 437.18371 192.9
[M+H-H2O]+ 381.21781 181.2
[M+HCOO]- 443.21875 196.1
[M+CH3COO]- 457.23440 199.4
[M+Na-2H]- 419.19522 193.0
[M]+ 398.22000 190.1
[M]- 398.22110 190.1
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.