CID 160150

Kobusine

Structural Information

Molecular Formula
C20H27NO2
SMILES
C[C@@]12CCC[C@]34[C@@H]1[C@@H]5CC67[C@H]3[C@H]([C@H](C[C@@H]6C4N5C2)C(=C)[C@H]7O)O
InChI
InChI=1S/C20H27NO2/c1-9-10-6-11-16-19-5-3-4-18(2)8-21(16)12(14(18)19)7-20(11,17(9)23)15(19)13(10)22/h10-17,22-23H,1,3-8H2,2H3/t10-,11-,12+,13+,14-,15+,16?,17-,18+,19+,20?/m1/s1
InChIKey
SYQIMSBCRURKCZ-FUUSBGSBSA-N
Compound name
(1S,5R,9S,11R,13R,16S,17R,18S,19S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-13,19-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

313.2042 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.21148 171.5
[M+Na]+ 336.19342 177.1
[M+NH4]+ 331.23802 187.1
[M+K]+ 352.16736 170.6
[M-H]- 312.19692 168.8
[M+Na-2H]- 334.17887 163.1
[M]+ 313.20365 171.8
[M]- 313.20475 171.8
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.