CID 5318050

21634-52-6

Structural Information

Molecular Formula

C₂₂H₂₄O₉

SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(O2)C(=C(C=C3OC)OC)OC)OC

InChI

InChI=1S/C22H24O9/c1-24-12-10-15(27-4)20(29-6)21-16(12)17(23)22(30-7)18(31-21)11-8-13(25-2)19(28-5)14(9-11)26-3/h8-10H,1-7H3

InChIKey

AFQWYRUBZJYCIF-UHFFFAOYSA-N

Compound name

3,5,7,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 432.14203 Da
Monoisotopic Mass: 3.2
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]+	433.149306	197.6
[M+Na]+	455.131248	208.5
[M-H]-	431.134754	207.6
[M+NH4]+	450.175853	207.9
[M+K]+	471.105188	210.0
[M+H-H2O]+	415.139290	187.8
[M+HCOO]-	477.140231	219.3
[M+CH3COO]-	491.155881	233.7
[M+Na-2H]-	453.116696	199.8
[M]+	432.14148142	214.4
[M]-	432.14257858	214.4

Literature stripe

literature stripe

Patent stripe

patents stripe