CID 44257302

6-prenylorobol

Structural Information

Molecular Formula
C20H18O6
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC(=C(C=C3)O)O)O)C
InChI
InChI=1S/C20H18O6/c1-10(2)3-5-12-15(22)8-17-18(19(12)24)20(25)13(9-26-17)11-4-6-14(21)16(23)7-11/h3-4,6-9,21-24H,5H2,1-2H3
InChIKey
URGGLJWRKAXLOT-UHFFFAOYSA-N
Compound name
3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

354.11035 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11763 181.7
[M+Na]+ 377.09957 191.2
[M-H]- 353.10307 186.2
[M+NH4]+ 372.14417 192.3
[M+K]+ 393.07351 187.1
[M+H-H2O]+ 337.10761 174.3
[M+HCOO]- 399.10855 197.0
[M+CH3COO]- 413.12420 209.5
[M+Na-2H]- 375.08502 182.7
[M]+ 354.10980 184.4
[M]- 354.11090 184.4
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