CID 15511334

3,7-dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-5,6-dimethoxy-4h-1-benzopyran-4-one

Structural Information

Molecular Formula
C23H26O8
SMILES
CC(CCC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3OC)OC)O)O)OC)CO
InChI
InChI=1S/C23H26O8/c1-12(11-24)5-6-13-9-14(7-8-16(13)28-2)21-20(27)19(26)18-17(31-21)10-15(25)22(29-3)23(18)30-4/h7-10,12,24-25,27H,5-6,11H2,1-4H3
InChIKey
WLKFOJZKYWLYJJ-UHFFFAOYSA-N
Compound name
3,7-dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-5,6-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

430.16278 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.17006 201.2
[M+Na]+ 453.15200 209.4
[M-H]- 429.15550 206.6
[M+NH4]+ 448.19660 209.2
[M+K]+ 469.12594 208.1
[M+H-H2O]+ 413.16004 192.3
[M+HCOO]- 475.16098 216.9
[M+CH3COO]- 489.17663 227.7
[M+Na-2H]- 451.13745 200.8
[M]+ 430.16223 210.6
[M]- 430.16333 210.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.