CID 145944441

Chebi:146218

Structural Information

Molecular Formula
C20H16O9
SMILES
CC(=O)C1=C(C2(C(=O)C3=C(C4=C(C=C(C=C4C=C3CC2(CC1=O)O)O)O)O)O)O
InChI
InChI=1S/C20H16O9/c1-7(21)13-12(24)6-19(28)5-9-2-8-3-10(22)4-11(23)14(8)16(25)15(9)18(27)20(19,29)17(13)26/h2-4,22-23,25-26,28-29H,5-6H2,1H3
InChIKey
RGYIMTSNKPPPSO-UHFFFAOYSA-N
Compound name
3-acetyl-4,4a,6,7,9,12a-hexahydroxy-1,12-dihydrotetracene-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.07944 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.08672 186.2
[M+Na]+ 423.06866 195.8
[M-H]- 399.07216 185.5
[M+NH4]+ 418.11326 200.4
[M+K]+ 439.04260 192.5
[M+H-H2O]+ 383.07670 181.1
[M+HCOO]- 445.07764 192.8
[M+CH3COO]- 459.09329 216.8
[M+Na-2H]- 421.05411 189.6
[M]+ 400.07889 186.7
[M]- 400.07999 186.7
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.