CID 44257448

Vesticarpan

Structural Information

Molecular Formula

C₁₆H₁₄O₅

SMILES

COC1=C(C2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)O)O

InChI

InChI=1S/C16H14O5/c1-19-12-5-4-9-11-7-20-13-6-8(17)2-3-10(13)15(11)21-16(9)14(12)18/h2-6,11,15,17-18H,7H2,1H3

InChIKey

JAAWOQQDCOFLRV-UHFFFAOYSA-N

Compound name

9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,10-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 286.08414 Da
Monoisotopic Mass: 2.3
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]+	287.09142	159.4
[M+Na]+	309.07336	169.2
[M-H]-	285.07686	165.3
[M+NH4]+	304.11796	176.6
[M+K]+	325.04730	167.4
[M+H-H2O]+	269.08140	154.1
[M+HCOO]-	331.08234	174.8
[M+CH3COO]-	345.09799	171.8
[M+Na-2H]-	307.05881	165.8
[M]+	286.08359	162.9
[M]-	286.08469	162.9

Literature stripe

literature stripe

Patent stripe

patents stripe