CID 15383190

5-hydroxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavone

Structural Information

Molecular Formula
C20H16O4
SMILES
CC1(C=CC2=C(O1)C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4)O)C
InChI
InChI=1S/C20H16O4/c1-20(2)9-8-13-17(24-20)11-15(22)18-14(21)10-16(23-19(13)18)12-6-4-3-5-7-12/h3-11,22H,1-2H3
InChIKey
VCUYDJLATCCAGU-UHFFFAOYSA-N
Compound name
5-hydroxy-8,8-dimethyl-2-phenylpyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.10486 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.11214 173.6
[M+Na]+ 343.09408 184.8
[M-H]- 319.09758 183.2
[M+NH4]+ 338.13868 188.9
[M+K]+ 359.06802 182.2
[M+H-H2O]+ 303.10212 164.9
[M+HCOO]- 365.10306 191.3
[M+CH3COO]- 379.11871 186.0
[M+Na-2H]- 341.07953 181.7
[M]+ 320.10431 177.4
[M]- 320.10541 177.4
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.