CID 10991656

6'',6''-dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone

Structural Information

Molecular Formula
C21H16O5
SMILES
CC1(C=CC2=C(O1)C=CC3=C2OC(=CC3=O)C4=CC5=C(C=C4)OCO5)C
InChI
InChI=1S/C21H16O5/c1-21(2)8-7-14-16(26-21)6-4-13-15(22)10-18(25-20(13)14)12-3-5-17-19(9-12)24-11-23-17/h3-10H,11H2,1-2H3
InChIKey
VTEDSEHLMNTMAV-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-8,8-dimethylpyrano[2,3-f]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.09976 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.10704 178.8
[M+Na]+ 371.08898 190.5
[M-H]- 347.09248 191.7
[M+NH4]+ 366.13358 193.4
[M+K]+ 387.06292 190.5
[M+H-H2O]+ 331.09702 171.4
[M+HCOO]- 393.09796 194.8
[M+CH3COO]- 407.11361 191.6
[M+Na-2H]- 369.07443 186.1
[M]+ 348.09921 185.3
[M]- 348.10031 185.3
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

No patent data available for this compound.