CID 15486955

5-hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-2,2-dimethyl-2h,6h-benzo[1,2-b:5,4-b']dipyran-6-one

Structural Information

Molecular Formula
C22H20O7
SMILES
CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C=C(O3)C4=CC(=C(C(=C4)OC)O)OC)C
InChI
InChI=1S/C22H20O7/c1-22(2)6-5-12-15(29-22)10-16-19(20(12)24)13(23)9-14(28-16)11-7-17(26-3)21(25)18(8-11)27-4/h5-10,24-25H,1-4H3
InChIKey
LJNMTAALHAPGLP-UHFFFAOYSA-N
Compound name
5-hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.1209 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.128176 192.4
[M+Na]+ 419.110118 203.9
[M-H]- 395.113624 201.3
[M+NH4]+ 414.154723 204.2
[M+K]+ 435.084058 203.1
[M+H-H2O]+ 379.118160 183.4
[M+HCOO]- 441.119101 208.0
[M+CH3COO]- 455.134751 222.1
[M+Na-2H]- 417.095566 197.7
[M]+ 396.12035142 200.8
[M]- 396.12144858 200.8
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.