CID 11346353

(3r)-atrochrysone

Structural Information

Molecular Formula
C15H14O5
SMILES
C[C@]1(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/t15-/m1/s1
InChIKey
FELQSDLZFDTZJN-OAHLLOKOSA-N
Compound name
(3R)-3,6,8,9-tetrahydroxy-3-methyl-2,4-dihydroanthracen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 158.5
[M+Na]+ 297.07336 168.6
[M-H]- 273.07686 159.7
[M+NH4]+ 292.11796 176.9
[M+K]+ 313.04730 163.9
[M+H-H2O]+ 257.08140 153.6
[M+HCOO]- 319.08234 172.6
[M+CH3COO]- 333.09799 192.8
[M+Na-2H]- 295.05881 163.6
[M]+ 274.08359 157.4
[M]- 274.08469 157.4
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.