CID 14162687

Agecorynin a

Structural Information

Molecular Formula
C20H20O8
SMILES
COC1=CC(=CC2=C1OCO2)C3CC(=O)C4=C(C(=C(C=C4O3)OC)OC)OC
InChI
InChI=1S/C20H20O8/c1-22-14-5-10(6-16-18(14)27-9-26-16)12-7-11(21)17-13(28-12)8-15(23-2)19(24-3)20(17)25-4/h5-6,8,12H,7,9H2,1-4H3
InChIKey
HTRVCOZULPJGLN-UHFFFAOYSA-N
Compound name
5,6,7-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1158 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.12308 186.7
[M+Na]+ 411.10502 196.0
[M-H]- 387.10852 198.0
[M+NH4]+ 406.14962 198.4
[M+K]+ 427.07896 198.0
[M+H-H2O]+ 371.11306 179.7
[M+HCOO]- 433.11400 203.4
[M+CH3COO]- 447.12965 222.5
[M+Na-2H]- 409.09047 189.9
[M]+ 388.11525 197.3
[M]- 388.11635 197.3
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.