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
1
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]+ 373.128176 186.1
[M+Na]+ 395.110118 195.0
[M-H]- 371.113624 189.3
[M+NH4]+ 390.154723 195.2
[M+K]+ 411.084058 191.7
[M+H-H2O]+ 355.118160 179.0
[M+HCOO]- 417.119101 199.2
[M+CH3COO]- 431.134751 210.8
[M+Na-2H]- 393.095566 189.2
[M]+ 372.12035142 189.4
[M]- 372.12144858 189.4
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.