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]+ 375.14385 186.9
[M+Na]+ 397.12579 193.2
[M-H]- 373.12929 189.0
[M+NH4]+ 392.17039 195.5
[M+K]+ 413.09973 190.1
[M+H-H2O]+ 357.13383 179.5
[M+HCOO]- 419.13477 197.7
[M+CH3COO]- 433.15042 212.0
[M+Na-2H]- 395.11124 185.9
[M]+ 374.13602 187.3
[M]- 374.13712 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.