CID 10021298

Glicophenone

Structural Information

Molecular Formula
C20H22O6
SMILES
CC(=CCC1=C(C(=C(C=C1O)O)CC(=O)C2=C(C=C(C=C2)O)O)OC)C
InChI
InChI=1S/C20H22O6/c1-11(2)4-6-14-18(24)10-19(25)15(20(14)26-3)9-17(23)13-7-5-12(21)8-16(13)22/h4-5,7-8,10,21-22,24-25H,6,9H2,1-3H3
InChIKey
JYRFVDHHGPHQBG-UHFFFAOYSA-N
Compound name
2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-1-(2,4-dihydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.14163 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.14891 183.0
[M+Na]+ 381.13085 189.9
[M-H]- 357.13435 185.1
[M+NH4]+ 376.17545 193.5
[M+K]+ 397.10479 185.7
[M+H-H2O]+ 341.13889 175.9
[M+HCOO]- 403.13983 198.7
[M+CH3COO]- 417.15548 210.5
[M+Na-2H]- 379.11630 179.7
[M]+ 358.14108 185.2
[M]- 358.14218 185.2
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.