CID 44258295

Kuwanon b

Structural Information

Molecular Formula
C25H24O6
SMILES
CC(=CCC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=C(C4=C(C=C3)OC(C=C4)(C)C)O)C
InChI
InChI=1S/C25H24O6/c1-13(2)5-6-17-23(29)21-18(27)11-14(26)12-20(21)30-24(17)16-7-8-19-15(22(16)28)9-10-25(3,4)31-19/h5,7-12,26-28H,6H2,1-4H3
InChIKey
GHYDRKXFHRBWGZ-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3
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 202.7
[M+Na]+ 443.14652 212.7
[M-H]- 419.15002 209.8
[M+NH4]+ 438.19112 212.9
[M+K]+ 459.12046 209.8
[M+H-H2O]+ 403.15456 194.1
[M+HCOO]- 465.15550 214.7
[M+CH3COO]- 479.17115 226.3
[M+Na-2H]- 441.13197 204.6
[M]+ 420.15675 207.6
[M]- 420.15785 207.6
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

patents stripe