CID 5466138

Flindulatin

Structural Information

Molecular Formula

C₁₉H₁₈O₇

SMILES

COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC)OC)OC

InChI

InChI=1S/C19H18O7/c1-22-11-7-5-10(6-8-11)16-19(25-4)15(21)14-12(20)9-13(23-2)17(24-3)18(14)26-16/h5-9,20H,1-4H3

InChIKey

SQOMVBRIXCJFKW-UHFFFAOYSA-N

Compound name

5-hydroxy-3,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 358.10526 Da
Monoisotopic Mass: 3.5
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]+	359.112536	179.5
[M+Na]+	381.094478	190.4
[M-H]-	357.097984	188.1
[M+NH4]+	376.139083	192.0
[M+K]+	397.068418	189.6
[M+H-H2O]+	341.102520	170.8
[M+HCOO]-	403.103461	200.6
[M+CH3COO]-	417.119111	215.4
[M+Na-2H]-	379.079926	183.7
[M]+	358.10471142	189.9
[M]-	358.10580858	189.9

Literature stripe

literature stripe

Patent stripe

patents stripe