CID 218189

40312-23-0

Structural Information

Molecular Formula
C12H10N2O4
SMILES
COC(=O)C(=O)C1=C(N=C(N1)C2=CC=CC=C2)O
InChI
InChI=1S/C12H10N2O4/c1-18-12(17)9(15)8-11(16)14-10(13-8)7-5-3-2-4-6-7/h2-6,16H,1H3,(H,13,14)
InChIKey
XJLGRZLLPRSPKQ-UHFFFAOYSA-N
Compound name
methyl 2-(4-hydroxy-2-phenyl-1H-imidazol-5-yl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.06406 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.071336 152.1
[M+Na]+ 269.053278 160.1
[M-H]- 245.056784 154.3
[M+NH4]+ 264.097883 166.8
[M+K]+ 285.027218 157.0
[M+H-H2O]+ 229.061320 144.4
[M+HCOO]- 291.062261 171.5
[M+CH3COO]- 305.077911 186.3
[M+Na-2H]- 267.038726 154.1
[M]+ 246.06351142 152.3
[M]- 246.06460858 152.3
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.