CID 455430

Homodeoxoartemisinin

Structural Information

Molecular Formula
C16H26O4
SMILES
C[C@@H]1CC[C@H]2[C@H](CCO[C@H]3C24[C@H]1CCC(O3)(OO4)C)C
InChI
InChI=1S/C16H26O4/c1-10-4-5-12-11(2)7-9-17-14-16(12)13(10)6-8-15(3,18-14)19-20-16/h10-14H,4-9H2,1-3H3/t10-,11+,12+,13+,14-,15?,16?/m1/s1
InChIKey
QGTNBZCODYOPJL-WEWTTWBXSA-N
Compound name
(4S,5R,8S,9S,13R)-1,5,9-trimethyl-12,15,16,17-tetraoxatetracyclo[11.3.1.04,14.08,14]heptadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1831 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.19038 162.7
[M+Na]+ 305.17232 174.0
[M-H]- 281.17582 170.2
[M+NH4]+ 300.21692 177.5
[M+K]+ 321.14626 165.4
[M+H-H2O]+ 265.18036 163.7
[M+HCOO]- 327.18130 167.6
[M+CH3COO]- 341.19695 170.8
[M+Na-2H]- 303.15777 170.1
[M]+ 282.18255 162.1
[M]- 282.18365 162.1
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.