CID 15227613

Artocarpanone a

Structural Information

Molecular Formula

C₁₇H₁₆O₆

SMILES

COC1=CC(=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O)O

InChI

InChI=1S/C17H16O6/c1-21-9-3-4-11(12(18)5-9)15-8-14(20)17-13(19)6-10(22-2)7-16(17)23-15/h3-7,15,18-19H,8H2,1-2H3

InChIKey

SNKAPDDRKJEOFE-UHFFFAOYSA-N

Compound name

5-hydroxy-2-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 316.0947 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	317.101976	169.2
[M+Na]+	339.083918	178.1
[M-H]-	315.087424	175.7
[M+NH4]+	334.128523	182.4
[M+K]+	355.057858	176.2
[M+H-H2O]+	299.091960	161.6
[M+HCOO]-	361.092901	186.7
[M+CH3COO]-	375.108551	204.3
[M+Na-2H]-	337.069366	172.9
[M]+	316.09415142	172.6
[M]-	316.09524858	172.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.