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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.09245 165.3
[M+Na]+ 329.07439 173.7
[M-H]- 305.07789 167.9
[M+NH4]+ 324.11899 177.9
[M+K]+ 345.04833 171.7
[M+H-H2O]+ 289.08243 157.5
[M+HCOO]- 351.08337 184.4
[M+CH3COO]- 365.09902 199.4
[M+Na-2H]- 327.05984 165.3
[M]+ 306.08462 169.9
[M]- 306.08572 169.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.