CID 5487855

Dillenetin

Structural Information

Molecular Formula

C₁₇H₁₄O₇

SMILES

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

InChI

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

InChIKey

MHALJYZRPGYQSI-UHFFFAOYSA-N

Compound name

2-(3,4-dimethoxyphenyl)-3,5,7-trihydroxychromen-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 64
Patents: 330.07394 Da
Monoisotopic Mass: 2.2
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]+	331.08122	171.1
[M+Na]+	353.06316	182.0
[M-H]-	329.06666	177.4
[M+NH4]+	348.10776	183.3
[M+K]+	369.03710	180.1
[M+H-H2O]+	313.07120	163.4
[M+HCOO]-	375.07214	189.9
[M+CH3COO]-	389.08779	205.3
[M+Na-2H]-	351.04861	175.5
[M]+	330.07339	177.4
[M]-	330.07449	177.4

Literature stripe

literature stripe

Patent stripe

patents stripe