CID 14284692

Euchrenone b5

Structural Information

Molecular Formula
C26H26O7
SMILES
CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=CO2)C3=CC4=C(C=C3O)OCO4)CC=C(C)C)O)C
InChI
InChI=1S/C26H26O7/c1-13(2)5-7-15-23(28)16(8-6-14(3)4)26-22(24(15)29)25(30)18(11-31-26)17-9-20-21(10-19(17)27)33-12-32-20/h5-6,9-11,27-29H,7-8,12H2,1-4H3
InChIKey
BMFWISRQQUCVKR-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-(6-hydroxy-1,3-benzodioxol-5-yl)-6,8-bis(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.16785 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.175126 212.2
[M+Na]+ 473.157068 220.4
[M-H]- 449.160574 219.7
[M+NH4]+ 468.201673 219.5
[M+K]+ 489.131008 218.2
[M+H-H2O]+ 433.165110 205.6
[M+HCOO]- 495.166051 223.2
[M+CH3COO]- 509.181701 232.0
[M+Na-2H]- 471.142516 209.4
[M]+ 450.16730142 218.5
[M]- 450.16839858 218.5
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.