CID 454892

3,9-dimethoxypterocarpan

Structural Information

Molecular Formula

C₁₇H₁₆O₄

SMILES

COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)OC

InChI

InChI=1S/C17H16O4/c1-18-10-4-6-13-15(7-10)20-9-14-12-5-3-11(19-2)8-16(12)21-17(13)14/h3-8,14,17H,9H2,1-2H3

InChIKey

VPGIGLKLCFOWDN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 13
References: 28
Patents: 284.10486 Da
Monoisotopic Mass: 2.9
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]+	285.11214	160.9
[M+Na]+	307.09408	170.5
[M-H]-	283.09758	168.9
[M+NH4]+	302.13868	179.3
[M+K]+	323.06802	169.2
[M+H-H2O]+	267.10212	154.7
[M+HCOO]-	329.10306	178.9
[M+CH3COO]-	343.11871	174.0
[M+Na-2H]-	305.07953	167.8
[M]+	284.10431	166.2
[M]-	284.10541	166.2

Literature stripe

literature stripe

Patent stripe

patents stripe