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]+ 283.190376 162.7
[M+Na]+ 305.172318 174.0
[M-H]- 281.175824 170.2
[M+NH4]+ 300.216923 177.5
[M+K]+ 321.146258 165.4
[M+H-H2O]+ 265.180360 163.7
[M+HCOO]- 327.181301 167.6
[M+CH3COO]- 341.196951 170.8
[M+Na-2H]- 303.157766 170.1
[M]+ 282.18255142 162.1
[M]- 282.18364858 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.