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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	275.091416	158.5
[M+Na]+	297.073358	168.6
[M-H]-	273.076864	159.7
[M+NH4]+	292.117963	176.9
[M+K]+	313.047298	163.9
[M+H-H2O]+	257.081400	153.6
[M+HCOO]-	319.082341	172.6
[M+CH3COO]-	333.097991	192.8
[M+Na-2H]-	295.058806	163.6
[M]+	274.08359142	157.4
[M]-	274.08468858	157.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.