CID 131752307

3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(4-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one

Structural Information

Molecular Formula
C20H22O7
SMILES
CC(CCC1=C2C(=C(C=C1O)O)C(=O)C(CO2)C3=C(C=C(C=C3)O)O)CO
InChI
InChI=1S/C20H22O7/c1-10(8-21)2-4-13-16(24)7-17(25)18-19(26)14(9-27-20(13)18)12-5-3-11(22)6-15(12)23/h3,5-7,10,14,21-25H,2,4,8-9H2,1H3
InChIKey
AHXHRRAHHBWGJJ-UHFFFAOYSA-N
Compound name
3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(4-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

374.13657 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.143846 186.9
[M+Na]+ 397.125788 193.2
[M-H]- 373.129294 189.0
[M+NH4]+ 392.170393 195.5
[M+K]+ 413.099728 190.1
[M+H-H2O]+ 357.133830 179.5
[M+HCOO]- 419.134771 197.7
[M+CH3COO]- 433.150421 212.0
[M+Na-2H]- 395.111236 185.9
[M]+ 374.13602142 187.3
[M]- 374.13711858 187.3
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.