CID 5315393

Yinyanghuo a

Structural Information

Molecular Formula
C25H24O6
SMILES
CC(=C)C(CC1=CC(=CC2=C1OC(C=C2)(C)C)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)O
InChI
InChI=1S/C25H24O6/c1-13(2)18(27)9-16-8-15(7-14-5-6-25(3,4)31-24(14)16)21-12-20(29)23-19(28)10-17(26)11-22(23)30-21/h5-8,10-12,18,26-28H,1,9H2,2-4H3
InChIKey
ZAUWPDSVLSOCDG-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-[8-(2-hydroxy-3-methylbut-3-enyl)-2,2-dimethylchromen-6-yl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
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

literature stripe

Patent stripe

patents stripe