CID 42608105

Agamanone

Structural Information

Molecular Formula
C18H16O8
SMILES
COC1=CC(=CC2=C1OCO2)C3CC(=O)C4=C(O3)C=C(C(=C4O)OC)O
InChI
InChI=1S/C18H16O8/c1-22-13-3-8(4-14-18(13)25-7-24-14)11-5-9(19)15-12(26-11)6-10(20)17(23-2)16(15)21/h3-4,6,11,20-21H,5,7H2,1-2H3
InChIKey
OPMVFPLFBRWXER-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-6-methoxy-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

9
Patents

360.0845 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.091776 178.0
[M+Na]+ 383.073718 187.3
[M-H]- 359.077224 187.0
[M+NH4]+ 378.118323 189.5
[M+K]+ 399.047658 188.1
[M+H-H2O]+ 343.081760 171.9
[M+HCOO]- 405.082701 192.4
[M+CH3COO]- 419.098351 212.7
[M+Na-2H]- 381.059166 181.5
[M]+ 360.08395142 184.6
[M]- 360.08504858 184.6
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

patents stripe