CID 14284691

Euchrenone b4

Structural Information

Molecular Formula
C27H28O7
SMILES
CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=CO2)C3=CC4=C(C=C3OC)OCO4)CC=C(C)C)O)C
InChI
InChI=1S/C27H28O7/c1-14(2)6-8-16-24(28)17(9-7-15(3)4)27-23(25(16)29)26(30)19(12-32-27)18-10-21-22(34-13-33-21)11-20(18)31-5/h6-7,10-12,28-29H,8-9,13H2,1-5H3
InChIKey
HEWXGYZXVVKVLP-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-(6-methoxy-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

464.1835 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.19078 216.5
[M+Na]+ 487.17272 224.7
[M-H]- 463.17622 225.1
[M+NH4]+ 482.21732 223.9
[M+K]+ 503.14666 223.0
[M+H-H2O]+ 447.18076 209.4
[M+HCOO]- 509.18170 228.6
[M+CH3COO]- 523.19735 236.8
[M+Na-2H]- 485.15817 213.5
[M]+ 464.18295 224.8
[M]- 464.18405 224.8
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.