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]+ 357.253646 188.8
[M+Na]+ 379.235588 189.7
[M-H]- 355.239094 191.4
[M+NH4]+ 374.280193 200.1
[M+K]+ 395.209528 184.8
[M+H-H2O]+ 339.243630 176.0
[M+HCOO]- 401.244571 192.1
[M+CH3COO]- 415.260221 194.1
[M+Na-2H]- 377.221036 190.2
[M]+ 356.24582142 178.5
[M]- 356.24691858 178.5
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.