CID 218193

Brn 0835860

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₆

SMILES

COC1=C(C=C(C=C1)C2=NC(=C(N2)C(=O)C(=O)OC)O)OC

InChI

InChI=1S/C14H14N2O6/c1-20-8-5-4-7(6-9(8)21-2)12-15-10(13(18)16-12)11(17)14(19)22-3/h4-6,18H,1-3H3,(H,15,16)

InChIKey

LKNXGGPSJGQZIU-UHFFFAOYSA-N

Compound name

methyl 2-[2-(3,4-dimethoxyphenyl)-4-hydroxy-1H-imidazol-5-yl]-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 306.08517 Da
Monoisotopic Mass: 2.3
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]+	307.092446	165.3
[M+Na]+	329.074388	173.7
[M-H]-	305.077894	167.9
[M+NH4]+	324.118993	177.9
[M+K]+	345.048328	171.7
[M+H-H2O]+	289.082430	157.5
[M+HCOO]-	351.083371	184.4
[M+CH3COO]-	365.099021	199.4
[M+Na-2H]-	327.059836	165.3
[M]+	306.08462142	169.9
[M]-	306.08571858	169.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.