CID 10669924

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one

Structural Information

Molecular Formula
C25H26O6
SMILES
CC(=CCC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O)CC=C(C)C)O)C
InChI
InChI=1S/C25H26O6/c1-13(2)5-8-16-23(29)17(9-6-14(3)4)25-22(24(16)30)20(28)12-21(31-25)15-7-10-18(26)19(27)11-15/h5-7,10-12,26-27,29-30H,8-9H2,1-4H3
InChIKey
KNYNUVZHFAMLDT-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

422.17294 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.18022 203.0
[M+Na]+ 445.16216 211.0
[M-H]- 421.16566 206.9
[M+NH4]+ 440.20676 210.8
[M+K]+ 461.13610 206.2
[M+H-H2O]+ 405.17020 195.1
[M+HCOO]- 467.17114 215.6
[M+CH3COO]- 481.18679 225.5
[M+Na-2H]- 443.14761 199.5
[M]+ 422.17239 206.3
[M]- 422.17349 206.3
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