CID 131753080

2-(4-hydroxyphenyl)-3,6-dimethoxy-8,8-dimethyl-4h,8h-benzo[1,2-b:3,4-b']dipyran-4-one

Structural Information

Molecular Formula
C22H20O6
SMILES
CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C(=C(O3)C4=CC=C(C=C4)O)OC)C
InChI
InChI=1S/C22H20O6/c1-22(2)10-9-14-15(28-22)11-16(25-3)17-18(24)21(26-4)19(27-20(14)17)12-5-7-13(23)8-6-12/h5-11,23H,1-4H3
InChIKey
VNNMTQJSNKAONW-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-3,5-dimethoxy-8,8-dimethylpyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

380.12598 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13326 189.1
[M+Na]+ 403.11520 200.5
[M-H]- 379.11870 199.0
[M+NH4]+ 398.15980 202.2
[M+K]+ 419.08914 199.4
[M+H-H2O]+ 363.12324 179.8
[M+HCOO]- 425.12418 206.1
[M+CH3COO]- 439.13983 200.8
[M+Na-2H]- 401.10065 195.1
[M]+ 380.12543 197.3
[M]- 380.12653 197.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.