CID 15486956

5-hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2h,6h-benzo[1,2-b:5,4-b']dipyran-6-one

Structural Information

Molecular Formula
C23H22O8
SMILES
CC1(C=CC2=C(C3=C(C(=C2O1)OC)OC(=CC3=O)C4=CC(=C(C(=C4)OC)O)OC)O)C
InChI
InChI=1S/C23H22O8/c1-23(2)7-6-12-18(25)17-13(24)10-14(30-21(17)22(29-5)20(12)31-23)11-8-15(27-3)19(26)16(9-11)28-4/h6-10,25-26H,1-5H3
InChIKey
QOXJILVSGINTCU-UHFFFAOYSA-N
Compound name
5-hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethylpyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.13147 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.13875 199.7
[M+Na]+ 449.12069 211.1
[M-H]- 425.12419 208.7
[M+NH4]+ 444.16529 210.3
[M+K]+ 465.09463 211.2
[M+H-H2O]+ 409.12873 190.4
[M+HCOO]- 471.12967 214.9
[M+CH3COO]- 485.14532 228.9
[M+Na-2H]- 447.10614 204.0
[M]+ 426.13092 210.3
[M]- 426.13202 210.3
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.