CID 14886044

Toxyloxanthone b

Structural Information

Molecular Formula

C₁₈H₁₄O₆

SMILES

CC1(C=CC2=C(O1)C(=CC3=C2C(=O)C4=C(C=C(C=C4O3)O)O)O)C

InChI

InChI=1S/C18H14O6/c1-18(2)4-3-9-14-13(7-11(21)17(9)24-18)23-12-6-8(19)5-10(20)15(12)16(14)22/h3-7,19-21H,1-2H3

InChIKey

MFKYNKVEQUTJEH-UHFFFAOYSA-N

Compound name

5,9,11-trihydroxy-3,3-dimethylpyrano[3,2-a]xanthen-12-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 3
Patents: 326.07904 Da
Monoisotopic Mass: 3.4
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]+	327.08632	171.4
[M+Na]+	349.06826	184.7
[M-H]-	325.07176	177.3
[M+NH4]+	344.11286	186.8
[M+K]+	365.04220	182.5
[M+H-H2O]+	309.07630	164.1
[M+HCOO]-	371.07724	186.5
[M+CH3COO]-	385.09289	183.7
[M+Na-2H]-	347.05371	180.5
[M]+	326.07849	177.8
[M]-	326.07959	177.8

Literature stripe

literature stripe

Patent stripe

patents stripe