CID 5464635

Caledonixanthone f

Structural Information

Molecular Formula

C₁₉H₁₈O₇

SMILES

CC(C)(C1CC2=C3C(=C(C(=C2O1)OC)O)C(=O)C4=C(O3)C(=CC=C4)O)O

InChI

InChI=1S/C19H18O7/c1-19(2,23)11-7-9-16-12(14(22)18(24-3)17(9)25-11)13(21)8-5-4-6-10(20)15(8)26-16/h4-6,11,20,22-23H,7H2,1-3H3

InChIKey

XQCTVPJMQLAEDI-UHFFFAOYSA-N

Compound name

5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-4-methoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 358.10526 Da
Monoisotopic Mass: 2.8
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]+	359.112536	179.4
[M+Na]+	381.094478	190.9
[M-H]-	357.097984	185.1
[M+NH4]+	376.139083	193.3
[M+K]+	397.068418	189.5
[M+H-H2O]+	341.102520	174.5
[M+HCOO]-	403.103461	193.6
[M+CH3COO]-	417.119111	212.0
[M+Na-2H]-	379.079926	185.8
[M]+	358.10471142	187.6
[M]-	358.10580858	187.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.