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]+ 451.17513 212.2
[M+Na]+ 473.15707 220.4
[M-H]- 449.16057 219.7
[M+NH4]+ 468.20167 219.5
[M+K]+ 489.13101 218.2
[M+H-H2O]+ 433.16511 205.6
[M+HCOO]- 495.16605 223.2
[M+CH3COO]- 509.18170 232.0
[M+Na-2H]- 471.14252 209.4
[M]+ 450.16730 218.5
[M]- 450.16840 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.