CID 42608026

Heteroflavanone b

Structural Information

Molecular Formula
C24H28O7
SMILES
CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=C(C=C(C=C3OC)OC)OC)O)OC)C
InChI
InChI=1S/C24H28O7/c1-13(2)7-8-15-18(28-4)11-16(25)22-17(26)12-21(31-24(15)22)23-19(29-5)9-14(27-3)10-20(23)30-6/h7,9-11,21,25H,8,12H2,1-6H3
InChIKey
CQHDMUSZBYPHBO-UHFFFAOYSA-N
Compound name
5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2-(2,4,6-trimethoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

428.1835 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.19078 202.1
[M+Na]+ 451.17272 209.6
[M-H]- 427.17622 209.3
[M+NH4]+ 446.21732 211.6
[M+K]+ 467.14666 208.3
[M+H-H2O]+ 411.18076 193.2
[M+HCOO]- 473.18170 217.8
[M+CH3COO]- 487.19735 231.9
[M+Na-2H]- 449.15817 200.2
[M]+ 428.18295 210.4
[M]- 428.18405 210.4
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

No patent data available for this compound.