CID 11070235

Kenusanone b

Structural Information

Molecular Formula
C25H28O7
SMILES
CC(=CCC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=C(C=C(C=C3O)O)O)CC=C(C)C)O)C
InChI
InChI=1S/C25H28O7/c1-12(2)5-7-15-23(30)16(8-6-13(3)4)25-22(24(15)31)19(29)11-20(32-25)21-17(27)9-14(26)10-18(21)28/h5-6,9-10,20,26-28,30-31H,7-8,11H2,1-4H3
InChIKey
IHBZIMVYBKLCGV-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-2-(2,4,6-trihydroxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.1835 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.19078 207.0
[M+Na]+ 463.17272 213.1
[M-H]- 439.17622 209.0
[M+NH4]+ 458.21732 213.3
[M+K]+ 479.14666 209.0
[M+H-H2O]+ 423.18076 199.6
[M+HCOO]- 485.18170 215.3
[M+CH3COO]- 499.19735 228.4
[M+Na-2H]- 461.15817 201.0
[M]+ 440.18295 207.7
[M]- 440.18405 207.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.