CID 14825644

3316-54-9

Structural Information

Molecular Formula

C₁₇H₁₄O₅

SMILES

COC1=C2C(=O)C=C(OC2=C(C(=C1)O)OC)C3=CC=CC=C3

InChI

InChI=1S/C17H14O5/c1-20-14-9-12(19)16(21-2)17-15(14)11(18)8-13(22-17)10-6-4-3-5-7-10/h3-9,19H,1-2H3

InChIKey

NZOUUYOSKJFMKB-UHFFFAOYSA-N

Compound name

7-hydroxy-5,8-dimethoxy-2-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 298.08414 Da
Monoisotopic Mass: 2.8
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]+	299.09142	164.5
[M+Na]+	321.07336	175.3
[M-H]-	297.07686	172.9
[M+NH4]+	316.11796	179.2
[M+K]+	337.04730	173.1
[M+H-H2O]+	281.08140	156.6
[M+HCOO]-	343.08234	186.3
[M+CH3COO]-	357.09799	202.2
[M+Na-2H]-	319.05881	171.0
[M]+	298.08359	170.6
[M]-	298.08469	170.6

Literature stripe

literature stripe

Patent stripe

patents stripe