CID 16744613

Isosojagol

Structural Information

Molecular Formula

C₂₀H₁₆O₅

SMILES

CC(=CCC1=C(C=CC2=C1OC3=C2C(=O)OC4=C3C=CC(=C4)O)O)C

InChI

InChI=1S/C20H16O5/c1-10(2)3-5-12-15(22)8-7-14-17-19(25-18(12)14)13-6-4-11(21)9-16(13)24-20(17)23/h3-4,6-9,21-22H,5H2,1-2H3

InChIKey

MQKLGUOASGICKG-UHFFFAOYSA-N

Compound name

3,9-dihydroxy-10-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 3
Patents: 336.09976 Da
Monoisotopic Mass: 4.7
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]+	337.10704	176.3
[M+Na]+	359.08898	189.3
[M-H]-	335.09248	183.6
[M+NH4]+	354.13358	191.9
[M+K]+	375.06292	185.8
[M+H-H2O]+	319.09702	170.4
[M+HCOO]-	381.09796	195.2
[M+CH3COO]-	395.11361	189.1
[M+Na-2H]-	357.07443	181.9
[M]+	336.09921	185.0
[M]-	336.10031	185.0

Literature stripe

literature stripe

Patent stripe

patents stripe