CID 153387

72357-29-0

Structural Information

Molecular Formula

C₁₉H₁₈O₆

SMILES

COC1=CC(=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC)OC

InChI

InChI=1S/C19H18O6/c1-21-11-5-6-13(15(7-11)23-3)16-10-14(20)19-17(24-4)8-12(22-2)9-18(19)25-16/h5-10H,1-4H3

InChIKey

VJCVZHAFFDEHIW-UHFFFAOYSA-N

Compound name

2-(2,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 342.11035 Da
Monoisotopic Mass: 2.1
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]+	343.11763	176.5
[M+Na]+	365.09957	187.3
[M-H]-	341.10307	186.1
[M+NH4]+	360.14417	190.2
[M+K]+	381.07351	186.4
[M+H-H2O]+	325.10761	167.6
[M+HCOO]-	387.10855	199.1
[M+CH3COO]-	401.12420	214.0
[M+Na-2H]-	363.08502	181.6
[M]+	342.10980	186.8
[M]-	342.11090	186.8

Literature stripe

literature stripe

Patent stripe

patents stripe