CID 14704591

Euchrenone b8

Structural Information

Molecular Formula
C25H24O6
SMILES
CC(=C)C(CC1=C2C(=C(C3=C1OC=C(C3=O)C4=CC=C(C=C4)O)O)C=CC(O2)(C)C)O
InChI
InChI=1S/C25H24O6/c1-13(2)19(27)11-17-23-16(9-10-25(3,4)31-23)21(28)20-22(29)18(12-30-24(17)20)14-5-7-15(26)8-6-14/h5-10,12,19,26-28H,1,11H2,2-4H3
InChIKey
KWRHIVVLDZCPHZ-UHFFFAOYSA-N
Compound name
5-hydroxy-10-(2-hydroxy-3-methylbut-3-enyl)-7-(4-hydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

420.1573 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.16458 201.9
[M+Na]+ 443.14652 210.6
[M-H]- 419.15002 208.5
[M+NH4]+ 438.19112 211.6
[M+K]+ 459.12046 208.2
[M+H-H2O]+ 403.15456 193.4
[M+HCOO]- 465.15550 213.0
[M+CH3COO]- 479.17115 226.5
[M+Na-2H]- 441.13197 203.4
[M]+ 420.15675 205.8
[M]- 420.15785 205.8
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

patents stripe