CID 5486130

Morphinan-3-ol, 17-isobutyl-, hydrobromide, (-)-

Structural Information

Molecular Formula
C20H29NO
SMILES
CC(C)CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O
InChI
InChI=1S/C20H29NO/c1-14(2)13-21-10-9-20-8-4-3-5-17(20)19(21)11-15-6-7-16(22)12-18(15)20/h6-7,12,14,17,19,22H,3-5,8-11,13H2,1-2H3/t17-,19+,20+/m0/s1
InChIKey
MSDWGNOEARCAOX-DFQSSKMNSA-N
Compound name
(1R,9R,10R)-17-(2-methylpropyl)-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

299.2249 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.232176 175.3
[M+Na]+ 322.214118 178.5
[M-H]- 298.217624 176.9
[M+NH4]+ 317.258723 192.7
[M+K]+ 338.188058 173.1
[M+H-H2O]+ 282.222160 166.1
[M+HCOO]- 344.223101 183.5
[M+CH3COO]- 358.238751 183.1
[M+Na-2H]- 320.199566 177.1
[M]+ 299.22435142 168.2
[M]- 299.22544858 168.2
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.