CID 5380905

33429-83-3

Structural Information

Molecular Formula

C₁₇H₁₄O₇

SMILES

COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)O

InChI

InChI=1S/C17H14O7/c1-22-12-4-3-8(5-10(12)19)16-17(23-2)15(21)14-11(20)6-9(18)7-13(14)24-16/h3-7,18-20H,1-2H3

InChIKey

ZSPZNFOLWQEVQJ-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 42
Patents: 330.07394 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]+	331.081216	171.1
[M+Na]+	353.063158	182.0
[M-H]-	329.066664	177.4
[M+NH4]+	348.107763	183.3
[M+K]+	369.037098	180.1
[M+H-H2O]+	313.071200	163.4
[M+HCOO]-	375.072141	189.9
[M+CH3COO]-	389.087791	205.3
[M+Na-2H]-	351.048606	175.5
[M]+	330.07339142	177.4
[M]-	330.07448858	177.4

Literature stripe

literature stripe

Patent stripe

patents stripe