CID 14033984

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

Structural Information

Molecular Formula
C22H20O5
SMILES
CC1(C=CC2=C3C(=CC(=C2O1)OC)C(=O)C(=C(O3)C4=CC=CC=C4)OC)C
InChI
InChI=1S/C22H20O5/c1-22(2)11-10-14-19-15(12-16(24-3)20(14)27-22)17(23)21(25-4)18(26-19)13-8-6-5-7-9-13/h5-12H,1-4H3
InChIKey
HIMWSGBRGFKFJN-UHFFFAOYSA-N
Compound name
3,6-dimethoxy-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

364.13107 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.13835 185.7
[M+Na]+ 387.12029 197.0
[M-H]- 363.12379 196.7
[M+NH4]+ 382.16489 200.0
[M+K]+ 403.09423 195.8
[M+H-H2O]+ 347.12833 176.2
[M+HCOO]- 409.12927 204.2
[M+CH3COO]- 423.14492 198.0
[M+Na-2H]- 385.10574 192.6
[M]+ 364.13052 193.7
[M]- 364.13162 193.7
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.