CID 14412216

Atrochrysone

Structural Information

Molecular Formula
C15H14O5
SMILES
CC1(CC2=CC3=CC(=CC(=C3C(=C2C(=O)C1)O)O)O)O
InChI
InChI=1S/C15H14O5/c1-15(20)5-8-2-7-3-9(16)4-10(17)12(7)14(19)13(8)11(18)6-15/h2-4,16-17,19-20H,5-6H2,1H3
InChIKey
FELQSDLZFDTZJN-UHFFFAOYSA-N
Compound name
3,6,8,9-tetrahydroxy-3-methyl-2,4-dihydroanthracen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

274.08414 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09142 158.7
[M+Na]+ 297.07336 171.5
[M+NH4]+ 292.11796 167.4
[M+K]+ 313.04730 164.5
[M-H]- 273.07686 159.6
[M+Na-2H]- 295.05881 162.8
[M]+ 274.08359 160.8
[M]- 274.08469 160.8
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