CID 121572

Coleon a

Structural Information

Molecular Formula
C20H22O6
SMILES
CC1=C2C(=C(C3=C1C(C(O3)O)(C)CC=C)O)C(=C(C(=O)C2=O)C(C)C)O
InChI
InChI=1S/C20H22O6/c1-6-7-20(5)13-9(4)11-12(17(24)18(13)26-19(20)25)14(21)10(8(2)3)15(22)16(11)23/h6,8,19,21,24-25H,1,7H2,2-5H3
InChIKey
KGPUDFRSRWIMAU-UHFFFAOYSA-N
Compound name
2,8,9-trihydroxy-3,4-dimethyl-7-propan-2-yl-3-prop-2-enyl-2H-benzo[f][1]benzofuran-5,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

358.14163 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.14891 182.4
[M+Na]+ 381.13085 193.1
[M+NH4]+ 376.17545 188.8
[M+K]+ 397.10479 189.3
[M-H]- 357.13435 182.8
[M+Na-2H]- 379.11630 181.7
[M]+ 358.14108 183.9
[M]- 358.14218 183.9
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

patents stripe