CID 509242

(5,7-dihydroxy-2,2-dimethyl-chromen-8-yl)-[3,5-dihydroxy-2-(3-methylbut-2-enyl)phenyl]methanone

Structural Information

Molecular Formula
C23H24O6
SMILES
CC(=CCC1=C(C=C(C=C1O)O)C(=O)C2=C(C=C(C3=C2OC(C=C3)(C)C)O)O)C
InChI
InChI=1S/C23H24O6/c1-12(2)5-6-14-16(9-13(24)10-17(14)25)21(28)20-19(27)11-18(26)15-7-8-23(3,4)29-22(15)20/h5,7-11,24-27H,6H2,1-4H3
InChIKey
NHYPUSZEORKJCF-UHFFFAOYSA-N
Compound name
(5,7-dihydroxy-2,2-dimethylchromen-8-yl)-[3,5-dihydroxy-2-(3-methylbut-2-enyl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

396.1573 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16458 194.4
[M+Na]+ 419.14652 202.3
[M-H]- 395.15002 198.3
[M+NH4]+ 414.19112 205.1
[M+K]+ 435.12046 198.9
[M+H-H2O]+ 379.15456 187.6
[M+HCOO]- 441.15550 206.2
[M+CH3COO]- 455.17115 219.2
[M+Na-2H]- 417.13197 193.4
[M]+ 396.15675 196.6
[M]- 396.15785 196.6
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

No patent data available for this compound.