CID 54678441

39923-40-5

Structural Information

Molecular Formula

C₁₇H₁₄O₅

SMILES

COC1=CC=C(C=C1)C2=C(C3=C(C=C(C=C3)OC)OC2=O)O

InChI

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

InChIKey

CVONGHIZZPMUOI-UHFFFAOYSA-N

Compound name

4-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 298.08414 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]+	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