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
2
Annotation Hits

0
References

10
Patents

360.0845 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.09178 178.0
[M+Na]+ 383.07372 187.3
[M-H]- 359.07722 187.0
[M+NH4]+ 378.11832 189.5
[M+K]+ 399.04766 188.1
[M+H-H2O]+ 343.08176 171.9
[M+HCOO]- 405.08270 192.4
[M+CH3COO]- 419.09835 212.7
[M+Na-2H]- 381.05917 181.5
[M]+ 360.08395 184.6
[M]- 360.08505 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