CID 119025664

0p4mwo2539

Structural Information

Molecular Formula

C₁₈H₁₈O₆

SMILES

COC1=CC2=C(C=C1)[C@@H]3COC4=C(C(=C(C=C4[C@@H]3O2)OC)OC)O

InChI

InChI=1S/C18H18O6/c1-20-9-4-5-10-12-8-23-17-11(16(12)24-13(10)6-9)7-14(21-2)18(22-3)15(17)19/h4-7,12,16,19H,8H2,1-3H3/t12-,16-/m0/s1

InChIKey

APDOGYRSSCEXNB-LRDDRELGSA-N

Compound name

(6aR,11aR)-2,3,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-4-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 330.11035 Da
Monoisotopic Mass: 2.6
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]+	331.117626	172.1
[M+Na]+	353.099568	181.9
[M-H]-	329.103074	179.2
[M+NH4]+	348.144173	188.2
[M+K]+	369.073508	181.3
[M+H-H2O]+	313.107610	166.1
[M+HCOO]-	375.108551	188.3
[M+CH3COO]-	389.124201	184.3
[M+Na-2H]-	351.085016	177.2
[M]+	330.10980142	179.7
[M]-	330.11089858	179.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.