CID 6602242

(-)-17-(2-(4-pyridyl)ethyl)morphinan-3-ol tartrate

Structural Information

Molecular Formula
C23H28N2O
SMILES
C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CCC5=CC=NC=C5
InChI
InChI=1S/C23H28N2O/c26-19-5-4-18-15-22-20-3-1-2-9-23(20,21(18)16-19)10-14-25(22)13-8-17-6-11-24-12-7-17/h4-7,11-12,16,20,22,26H,1-3,8-10,13-15H2/t20-,22+,23+/m0/s1
InChIKey
WWSSWPLQJHWPAJ-MDNUFGMLSA-N
Compound name
(1R,9R,10R)-17-(2-pyridin-4-ylethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.22015 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.22743 189.9
[M+Na]+ 371.20937 204.2
[M+NH4]+ 366.25397 201.1
[M+K]+ 387.18331 192.0
[M-H]- 347.21287 195.6
[M+Na-2H]- 369.19482 196.8
[M]+ 348.21960 193.9
[M]- 348.22070 193.9
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.