CID 5320444

Artoindonesianin s

Structural Information

Molecular Formula

C₂₂H₂₀O₇

SMILES

CC(=C)C1CC2=C(C3=C1C(=C(C=C3O)OC)O)OC4=CC(=CC(=C4C2=O)O)OC

InChI

InChI=1S/C22H20O7/c1-9(2)11-7-12-20(25)18-13(23)5-10(27-3)6-15(18)29-22(12)19-14(24)8-16(28-4)21(26)17(11)19/h5-6,8,11,23-24,26H,1,7H2,2-4H3

InChIKey

QTSYIEYGKIGDKF-UHFFFAOYSA-N

Compound name

1,4,8-trihydroxy-3,10-dimethoxy-5-prop-1-en-2-yl-5,6-dihydrobenzo[c]xanthen-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 396.1209 Da
Monoisotopic Mass: 4.1
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]+	397.128176	190.3
[M+Na]+	419.110118	200.4
[M-H]-	395.113624	194.5
[M+NH4]+	414.154723	201.9
[M+K]+	435.084058	197.8
[M+H-H2O]+	379.118160	182.6
[M+HCOO]-	441.119101	202.6
[M+CH3COO]-	455.134751	223.9
[M+Na-2H]-	417.095566	192.5
[M]+	396.12035142	196.3
[M]-	396.12144858	196.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.