CID 119269

Kievitone

Structural Information

Molecular Formula
C20H20O6
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(CO2)C3=C(C=C(C=C3)O)O)C
InChI
InChI=1S/C20H20O6/c1-10(2)3-5-13-16(23)8-17(24)18-19(25)14(9-26-20(13)18)12-6-4-11(21)7-15(12)22/h3-4,6-8,14,21-24H,5,9H2,1-2H3
InChIKey
MERHMOCEIBOOMA-UHFFFAOYSA-N
Compound name
3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

85
Patents

356.12598 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13326 183.3
[M+Na]+ 379.11520 195.8
[M+NH4]+ 374.15980 188.5
[M+K]+ 395.08914 191.2
[M-H]- 355.11870 186.1
[M+Na-2H]- 377.10065 185.4
[M]+ 356.12543 185.7
[M]- 356.12653 185.7
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