CID 184922

89029-10-7

Structural Information

Molecular Formula

C₂₀H₁₈O₈

SMILES

COC1=CC(=CC2=C1OCO2)C3=CC(=O)C4=C(C(=C(C=C4O3)OC)OC)OC

InChI

InChI=1S/C20H18O8/c1-22-14-5-10(6-16-18(14)27-9-26-16)12-7-11(21)17-13(28-12)8-15(23-2)19(24-3)20(17)25-4/h5-8H,9H2,1-4H3

InChIKey

VHHQKEHGTLSRCV-UHFFFAOYSA-N

Compound name

5,6,7-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 386.10016 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]+	387.10744	185.9
[M+Na]+	409.08938	197.1
[M-H]-	385.09288	198.0
[M+NH4]+	404.13398	197.8
[M+K]+	425.06332	199.0
[M+H-H2O]+	369.09742	178.7
[M+HCOO]-	431.09836	205.4
[M+CH3COO]-	445.11401	221.8
[M+Na-2H]-	407.07483	190.6
[M]+	386.09961	199.2
[M]-	386.10071	199.2

Literature stripe

literature stripe

Patent stripe

patents stripe