CID 44258296

Kuwanon a

Structural Information

Molecular Formula
C25H24O6
SMILES
CC(=CCC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=C4C(=C(C=C3)O)C=CC(O4)(C)C)C
InChI
InChI=1S/C25H24O6/c1-13(2)5-6-16-22(29)21-19(28)11-14(26)12-20(21)30-23(16)17-7-8-18(27)15-9-10-25(3,4)31-24(15)17/h5,7-12,26-28H,6H2,1-4H3
InChIKey
DBUNRZUFILGKHP-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(5-hydroxy-2,2-dimethylchromen-8-yl)-3-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

135
Patents

420.1573 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.16458 200.7
[M+Na]+ 443.14652 216.4
[M+NH4]+ 438.19112 208.0
[M+K]+ 459.12046 208.2
[M-H]- 419.15002 206.7
[M+Na-2H]- 441.13197 205.1
[M]+ 420.15675 205.0
[M]- 420.15785 205.0
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

patents stripe