CID 131752200

2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-hydroxy-3-methylbutyl)-4h-1-benzopyran-4-one

Structural Information

Molecular Formula
C20H20O7
SMILES
CC(C)(CCC1=C(C2=C(C=C1O)OC(=CC2=O)C3=C(C=C(C=C3)O)O)O)O
InChI
InChI=1S/C20H20O7/c1-20(2,26)6-5-12-14(23)8-17-18(19(12)25)15(24)9-16(27-17)11-4-3-10(21)7-13(11)22/h3-4,7-9,21-23,25-26H,5-6H2,1-2H3
InChIKey
HRSXJJYSAIZMGH-UHFFFAOYSA-N
Compound name
2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-hydroxy-3-methylbutyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

372.1209 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12818 186.3
[M+Na]+ 395.11012 199.4
[M+NH4]+ 390.15472 190.8
[M+K]+ 411.08406 195.8
[M-H]- 371.11362 188.4
[M+Na-2H]- 393.09557 189.5
[M]+ 372.12035 188.7
[M]- 372.12145 188.7
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.