CID 6602226

(-)-17-(2-morpholinoethyl)morphinan-3-ol salicylate

Structural Information

Molecular Formula
C22H32N2O2
SMILES
C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CCN5CCOCC5
InChI
InChI=1S/C22H32N2O2/c25-18-5-4-17-15-21-19-3-1-2-6-22(19,20(17)16-18)7-8-24(21)10-9-23-11-13-26-14-12-23/h4-5,16,19,21,25H,1-3,6-15H2/t19-,21+,22+/m0/s1
InChIKey
JVNHMMUEDGOTTF-KSEOMHKRSA-N
Compound name
(1R,9R,10R)-17-(2-morpholin-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

356.24637 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.25365 192.9
[M+Na]+ 379.23559 204.4
[M+NH4]+ 374.28019 203.4
[M+K]+ 395.20953 193.9
[M-H]- 355.23909 198.8
[M+Na-2H]- 377.22104 196.2
[M]+ 356.24582 196.3
[M]- 356.24692 196.3
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.