CID 44257326

Robustigenin methyl ether

Structural Information

Molecular Formula
C20H20O7
SMILES
COC1=CC2=C(C(=C1)OC)C(=O)C(=CO2)C3=CC(=C(C=C3OC)OC)OC
InChI
InChI=1S/C20H20O7/c1-22-11-6-17(26-5)19-18(7-11)27-10-13(20(19)21)12-8-15(24-3)16(25-4)9-14(12)23-2/h6-10H,1-5H3
InChIKey
HFVMJNIERAKWKQ-UHFFFAOYSA-N
Compound name
5,7-dimethoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1209 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12818 183.8
[M+Na]+ 395.11012 194.7
[M-H]- 371.11362 193.5
[M+NH4]+ 390.15472 196.3
[M+K]+ 411.08406 194.5
[M+H-H2O]+ 355.11816 174.6
[M+HCOO]- 417.11910 206.1
[M+CH3COO]- 431.13475 220.5
[M+Na-2H]- 393.09557 187.9
[M]+ 372.12035 196.3
[M]- 372.12145 196.3
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.