CID 218192

Brn 0925579

Structural Information

Molecular Formula
C13H12N2O4
SMILES
CC1=CC=CC=C1C2=NC(=C(N2)C(=O)C(=O)OC)O
InChI
InChI=1S/C13H12N2O4/c1-7-5-3-4-6-8(7)11-14-9(12(17)15-11)10(16)13(18)19-2/h3-6,17H,1-2H3,(H,14,15)
InChIKey
IGHAVWHVXIYWSG-UHFFFAOYSA-N
Compound name
methyl 2-[4-hydroxy-2-(2-methylphenyl)-1H-imidazol-5-yl]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0797 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.086976 156.4
[M+Na]+ 283.068918 164.9
[M-H]- 259.072424 158.8
[M+NH4]+ 278.113523 170.9
[M+K]+ 299.042858 161.6
[M+H-H2O]+ 243.076960 148.9
[M+HCOO]- 305.077901 175.5
[M+CH3COO]- 319.093551 190.6
[M+Na-2H]- 281.054366 157.2
[M]+ 260.07915142 157.4
[M]- 260.08024858 157.4
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.