CID 4871

Pomiferin

Structural Information

Molecular Formula
C25H24O6
SMILES
CC(=CCC1=C2C(=C3C(=C1O)C(=O)C(=CO3)C4=CC(=C(C=C4)O)O)C=CC(O2)(C)C)C
InChI
InChI=1S/C25H24O6/c1-13(2)5-7-15-21(28)20-22(29)17(14-6-8-18(26)19(27)11-14)12-30-24(20)16-9-10-25(3,4)31-23(15)16/h5-6,8-12,26-28H,7H2,1-4H3
InChIKey
GHCZYXUOYFOXIP-UHFFFAOYSA-N
Compound name
3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

47
References

213
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