CID 44260106

Robustin methyl ether

Structural Information

Molecular Formula
C23H20O7
SMILES
CC1(C=CC2=C(O1)C=C3C(=C2OC)C(=C(C(=O)O3)C4=CC5=C(C=C4)OCO5)OC)C
InChI
InChI=1S/C23H20O7/c1-23(2)8-7-13-15(30-23)10-17-19(20(13)25-3)21(26-4)18(22(24)29-17)12-5-6-14-16(9-12)28-11-27-14/h5-10H,11H2,1-4H3
InChIKey
OJMVWQKOYQXIJO-UHFFFAOYSA-N
Compound name
7-(1,3-benzodioxol-5-yl)-5,6-dimethoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.1209 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.12818 194.6
[M+Na]+ 431.11012 206.4
[M-H]- 407.11362 207.9
[M+NH4]+ 426.15472 207.1
[M+K]+ 447.08406 207.8
[M+H-H2O]+ 391.11816 186.9
[M+HCOO]- 453.11910 209.9
[M+CH3COO]- 467.13475 206.7
[M+Na-2H]- 429.09557 200.2
[M]+ 408.12035 205.5
[M]- 408.12145 205.5
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.