CID 14282794

Pumilaisoflavone d

Structural Information

Molecular Formula
C22H20O7
SMILES
CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC(=C(C(=C4)OC)O)OC)C
InChI
InChI=1S/C22H20O7/c1-22(2)6-5-12-14(29-22)9-15-18(19(12)23)20(24)13(10-28-15)11-7-16(26-3)21(25)17(8-11)27-4/h5-10,23,25H,1-4H3
InChIKey
GLSGFPDIXHVCDU-UHFFFAOYSA-N
Compound name
5-hydroxy-7-(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]+ 397.12818 192.4
[M+Na]+ 419.11012 203.9
[M-H]- 395.11362 201.3
[M+NH4]+ 414.15472 204.2
[M+K]+ 435.08406 203.1
[M+H-H2O]+ 379.11816 183.4
[M+HCOO]- 441.11910 208.0
[M+CH3COO]- 455.13475 222.1
[M+Na-2H]- 417.09557 197.7
[M]+ 396.12035 200.8
[M]- 396.12145 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.