CID 71588424

(-)-5,4'-dihydroxy-7,8-[(3''-hydroxy-4''-one)-2'',2''-dimethylpyrano]-flavone

Structural Information

Molecular Formula
C20H18O7
SMILES
CC1(C(C(=C2C3C(C(=O)C=C(O3)C4=CC=C(C=C4)O)C(=O)C=C2O1)O)O)C
InChI
InChI=1S/C20H18O7/c1-20(2)19(25)17(24)16-14(27-20)8-12(23)15-11(22)7-13(26-18(15)16)9-3-5-10(21)6-4-9/h3-8,15,18-19,21,24-25H,1-2H3
InChIKey
VCCVGCIOQYREOU-UHFFFAOYSA-N
Compound name
9,10-dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-9,10b-dihydro-4aH-pyrano[2,3-f]chromene-4,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.10526 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11254 184.0
[M+Na]+ 393.09448 193.4
[M-H]- 369.09798 190.7
[M+NH4]+ 388.13908 196.0
[M+K]+ 409.06842 191.8
[M+H-H2O]+ 353.10252 176.3
[M+HCOO]- 415.10346 194.7
[M+CH3COO]- 429.11911 215.0
[M+Na-2H]- 391.07993 187.5
[M]+ 370.10471 185.4
[M]- 370.10581 185.4
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.