CID 6540627

(-)-17-(2-butenyl)morphinan-3-ol hydrobromide

Structural Information

Molecular Formula
C20H27NO
SMILES
C/C=C/CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O
InChI
InChI=1S/C20H27NO/c1-2-3-11-21-12-10-20-9-5-4-6-17(20)19(21)13-15-7-8-16(22)14-18(15)20/h2-3,7-8,14,17,19,22H,4-6,9-13H2,1H3/b3-2+/t17-,19+,20+/m0/s1
InChIKey
RFSQYDQWPHZVSD-VSBZOQOFSA-N
Compound name
(1R,9R,10R)-17-[(E)-but-2-enyl]-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

297.20926 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21654 174.2
[M+Na]+ 320.19848 178.1
[M-H]- 296.20198 175.8
[M+NH4]+ 315.24308 191.7
[M+K]+ 336.17242 171.6
[M+H-H2O]+ 280.20652 164.8
[M+HCOO]- 342.20746 183.6
[M+CH3COO]- 356.22311 182.2
[M+Na-2H]- 318.18393 177.2
[M]+ 297.20871 166.9
[M]- 297.20981 166.9
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.