CID 5745875

(-)-17-acetylmorphinan-3-ol

Structural Information

Molecular Formula
C18H23NO2
SMILES
CC(=O)N1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O
InChI
InChI=1S/C18H23NO2/c1-12(20)19-9-8-18-7-3-2-4-15(18)17(19)10-13-5-6-14(21)11-16(13)18/h5-6,11,15,17,21H,2-4,7-10H2,1H3/t15-,17+,18+/m0/s1
InChIKey
GYIBSRBIOHMGPQ-CGTJXYLNSA-N
Compound name
1-[(1R,9R,10R)-4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.17288 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 168.3
[M+Na]+ 308.16210 172.8
[M-H]- 284.16560 170.4
[M+NH4]+ 303.20670 186.3
[M+K]+ 324.13604 167.9
[M+H-H2O]+ 268.17014 159.6
[M+HCOO]- 330.17108 177.6
[M+CH3COO]- 344.18673 177.0
[M+Na-2H]- 306.14755 171.5
[M]+ 285.17233 161.4
[M]- 285.17343 161.4
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.