CID 14777482

35323-89-8

Structural Information

Molecular Formula

C₂₀H₂₀O₅

SMILES

CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C(=CC=C3)OC)OC)C

InChI

InChI=1S/C20H20O5/c1-11(2)8-9-12-15(24-4)10-16-17(18(12)21)19(22)13-6-5-7-14(23-3)20(13)25-16/h5-8,10,21H,9H2,1-4H3

InChIKey

ADQOAYRZNAECHD-UHFFFAOYSA-N

Compound name

1-hydroxy-3,5-dimethoxy-2-(3-methylbut-2-enyl)xanthen-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 340.13107 Da
Monoisotopic Mass: 5.0
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]+	341.138346	178.0
[M+Na]+	363.120288	189.1
[M-H]-	339.123794	184.0
[M+NH4]+	358.164893	192.5
[M+K]+	379.094228	186.1
[M+H-H2O]+	323.128330	170.4
[M+HCOO]-	385.129271	197.4
[M+CH3COO]-	399.144921	213.6
[M+Na-2H]-	361.105736	182.5
[M]+	340.13052142	186.8
[M]-	340.13161858	186.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe