CID 15560612

Mopanin

Structural Information

Molecular Formula

C₁₆H₁₀O₆

SMILES

C1C2=C(C=CC(=C2O)O)C3=C(O1)C(=O)C4=C(O3)C=C(C=C4)O

InChI

InChI=1S/C16H10O6/c17-7-1-2-9-12(5-7)22-15-8-3-4-11(18)13(19)10(8)6-21-16(15)14(9)20/h1-5,17-19H,6H2

InChIKey

RBBWOJZPSUZDBS-UHFFFAOYSA-N

Compound name

3,4,10-trihydroxy-5H-isochromeno[4,3-b]chromen-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 298.04773 Da
Monoisotopic Mass: 1.9
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]+	299.05501	160.6
[M+Na]+	321.03695	172.0
[M-H]-	297.04045	165.9
[M+NH4]+	316.08155	174.8
[M+K]+	337.01089	169.8
[M+H-H2O]+	281.04499	153.6
[M+HCOO]-	343.04593	175.3
[M+CH3COO]-	357.06158	172.7
[M+Na-2H]-	319.02240	169.6
[M]+	298.04718	164.2
[M]-	298.04828	164.2

Literature stripe

literature stripe

Patent stripe

patents stripe