CID 480828

Broussoflavonol b

Structural Information

Molecular Formula
C26H28O7
SMILES
CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC)CC=C(C)C)O)C
InChI
InChI=1S/C26H28O7/c1-13(2)6-9-16-21(29)17(10-7-14(3)4)25-20(22(16)30)23(31)26(32-5)24(33-25)15-8-11-18(27)19(28)12-15/h6-8,11-12,27-30H,9-10H2,1-5H3
InChIKey
WKVKAWWZXXTJEH-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

452.1835 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.19078 210.0
[M+Na]+ 475.17272 218.0
[M-H]- 451.17622 214.0
[M+NH4]+ 470.21732 216.7
[M+K]+ 491.14666 214.2
[M+H-H2O]+ 435.18076 201.8
[M+HCOO]- 497.18170 222.3
[M+CH3COO]- 511.19735 232.3
[M+Na-2H]- 473.15817 205.6
[M]+ 452.18295 215.5
[M]- 452.18405 215.5
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

patents stripe