CID 68827

Artemisinin

Structural Information

Molecular Formula
C15H22O5
SMILES
C[C@@H]1CC[C@H]2[C@H](C(=O)O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)C
InChI
InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1
InChIKey
BLUAFEHZUWYNDE-NNWCWBAJSA-N
Compound name
(1R,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

5097
References

18080
Patents

282.14673 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15401 163.5
[M+Na]+ 305.13595 168.2
[M+NH4]+ 300.18055 171.5
[M+K]+ 321.10989 164.7
[M-H]- 281.13945 165.3
[M+Na-2H]- 303.12140 160.6
[M]+ 282.14618 164.9
[M]- 282.14728 164.9
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

patents stripe