CID 42608374

5s-(5s-hydroxyoctyl)-2s-methyldecahydroquinolin-3r-ol

Structural Information

Molecular Formula
C18H35NO2
SMILES
CCC[C@@H](CCCC[C@H]1CCCC2C1C[C@H]([C@@H](N2)C)O)O
InChI
InChI=1S/C18H35NO2/c1-3-7-15(20)10-5-4-8-14-9-6-11-17-16(14)12-18(21)13(2)19-17/h13-21H,3-12H2,1-2H3/t13-,14-,15-,16?,17?,18+/m0/s1
InChIKey
LNSIIDDYOVTXHK-YQZYXFPUSA-N
Compound name
(2S,3R,5S)-5-[(5S)-5-hydroxyoctyl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

297.26678 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.27406 179.2
[M+Na]+ 320.25600 180.0
[M-H]- 296.25950 175.7
[M+NH4]+ 315.30060 192.1
[M+K]+ 336.22994 175.1
[M+H-H2O]+ 280.26404 172.3
[M+HCOO]- 342.26498 186.6
[M+CH3COO]- 356.28063 201.3
[M+Na-2H]- 318.24145 176.0
[M]+ 297.26623 172.1
[M]- 297.26733 172.1
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.