CID 14308334

68939-22-0

Structural Information

Molecular Formula

C₁₇H₁₄O₅

SMILES

COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=CC(=C3)O)OC

InChI

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

InChIKey

JQQULYXWXRNRAX-UHFFFAOYSA-N

Compound name

7-hydroxy-5-methoxy-3-(4-methoxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
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]+	299.091416	164.5
[M+Na]+	321.073358	175.3
[M-H]-	297.076864	172.9
[M+NH4]+	316.117963	179.2
[M+K]+	337.047298	173.1
[M+H-H2O]+	281.081400	156.6
[M+HCOO]-	343.082341	186.3
[M+CH3COO]-	357.097991	202.2
[M+Na-2H]-	319.058806	171.0
[M]+	298.08359142	170.6
[M]-	298.08468858	170.6

Literature stripe

literature stripe

Patent stripe

patents stripe