CID 6540627

Morphinan-3-ol, 17-(2-butenyl)-, 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]+ 298.216536 174.2
[M+Na]+ 320.198478 178.1
[M-H]- 296.201984 175.8
[M+NH4]+ 315.243083 191.7
[M+K]+ 336.172418 171.6
[M+H-H2O]+ 280.206520 164.8
[M+HCOO]- 342.207461 183.6
[M+CH3COO]- 356.223111 182.2
[M+Na-2H]- 318.183926 177.2
[M]+ 297.20871142 166.9
[M]- 297.20980858 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.