CID 159029

Tenaxin i

Structural Information

Molecular Formula

C₁₈H₁₆O₇

SMILES

COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC=CC=C3O)OC)OC

InChI

InChI=1S/C18H16O7/c1-22-16-14(21)13-11(20)8-12(9-6-4-5-7-10(9)19)25-15(13)17(23-2)18(16)24-3/h4-8,19,21H,1-3H3

InChIKey

QCKBVAGWPBRRQJ-UHFFFAOYSA-N

Compound name

5-hydroxy-2-(2-hydroxyphenyl)-6,7,8-trimethoxychromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 344.0896 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]+	345.09688	175.2
[M+Na]+	367.07882	186.2
[M-H]-	343.08232	182.7
[M+NH4]+	362.12342	187.6
[M+K]+	383.05276	184.8
[M+H-H2O]+	327.08686	167.0
[M+HCOO]-	389.08780	195.3
[M+CH3COO]-	403.10345	210.3
[M+Na-2H]-	365.06427	179.6
[M]+	344.08905	183.6
[M]-	344.09015	183.6

Literature stripe

literature stripe

Patent stripe

patents stripe