CID 493294

Caledonixanthone c

Structural Information

Molecular Formula

C₁₈H₁₆O₄

SMILES

CC(C)(C1CC2=C(O1)C3=C(C=C2)C(=O)C4=CC=CC=C4O3)O

InChI

InChI=1S/C18H16O4/c1-18(2,20)14-9-10-7-8-12-15(19)11-5-3-4-6-13(11)21-17(12)16(10)22-14/h3-8,14,20H,9H2,1-2H3

InChIKey

OKZADUDRUAZXJS-UHFFFAOYSA-N

Compound name

2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-c]xanthen-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 296.10486 Da
Monoisotopic Mass: 3.0
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]+	297.112136	164.7
[M+Na]+	319.094078	176.1
[M-H]-	295.097584	172.3
[M+NH4]+	314.138683	182.3
[M+K]+	335.068018	173.7
[M+H-H2O]+	279.102120	159.4
[M+HCOO]-	341.103061	182.2
[M+CH3COO]-	355.118711	177.9
[M+Na-2H]-	317.079526	173.6
[M]+	296.10431142	170.4
[M]-	296.10540858	170.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.