CID 122800

Pseudokobusine

Structural Information

Molecular Formula
C20H27NO3
SMILES
C[C@]12CCC[C@@]34[C@H]1[C@@]5(CC67[C@@H]3[C@@H](C(CC6C4N5C2)C(=C)[C@@H]7O)O)O
InChI
InChI=1S/C20H27NO3/c1-9-10-6-11-14-18-5-3-4-17(2)8-21(14)20(24,16(17)18)7-19(11,15(9)23)13(18)12(10)22/h10-16,22-24H,1,3-8H2,2H3/t10?,11?,12-,13-,14?,15+,16+,17-,18-,19?,20-/m1/s1
InChIKey
VDBKGYFMEGDQHS-HAYSWLRJSA-N
Compound name
(1S,5S,13S,16R,17S,18R,19R)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-13,16,19-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

329.1991 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.20638 174.6
[M+Na]+ 352.18832 179.2
[M+NH4]+ 347.23292 190.4
[M+K]+ 368.16226 171.9
[M-H]- 328.19182 170.9
[M+Na-2H]- 350.17377 166.7
[M]+ 329.19855 174.6
[M]- 329.19965 174.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.