CID 44259899

Distemonatin

Structural Information

Molecular Formula
C20H20O9
SMILES
COC1=CC(=C(C=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)O)O)OC)OC)OC
InChI
InChI=1S/C20H20O9/c1-24-10-7-12(26-3)11(25-2)6-9(10)19-20(28-5)18(23)15-13(29-19)8-14(27-4)16(21)17(15)22/h6-8,21-22H,1-5H3
InChIKey
OPCLJVVCCSFJQS-UHFFFAOYSA-N
Compound name
5,6-dihydroxy-3,7-dimethoxy-2-(2,4,5-trimethoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.11072 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.11800 189.4
[M+Na]+ 427.09994 200.3
[M-H]- 403.10344 197.1
[M+NH4]+ 422.14454 199.5
[M+K]+ 443.07388 200.7
[M+H-H2O]+ 387.10798 180.5
[M+HCOO]- 449.10892 208.7
[M+CH3COO]- 463.12457 223.9
[M+Na-2H]- 425.08539 191.7
[M]+ 404.11017 202.1
[M]- 404.11127 202.1
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.