CID 45792157

Ethyl 2-(1-benzyl-1h-imidazol-2-yl)-2-oxoacetate

Structural Information

Molecular Formula
C14H14N2O3
SMILES
CCOC(=O)C(=O)C1=NC=CN1CC2=CC=CC=C2
InChI
InChI=1S/C14H14N2O3/c1-2-19-14(18)12(17)13-15-8-9-16(13)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKey
NKZUJMUWVIAADM-UHFFFAOYSA-N
Compound name
ethyl 2-(1-benzylimidazol-2-yl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.10043 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 157.8
[M+Na]+ 281.08965 165.1
[M-H]- 257.09315 162.0
[M+NH4]+ 276.13425 173.3
[M+K]+ 297.06359 162.6
[M+H-H2O]+ 241.09769 149.1
[M+HCOO]- 303.09863 179.4
[M+CH3COO]- 317.11428 193.8
[M+Na-2H]- 279.07510 160.3
[M]+ 258.09988 160.6
[M]- 258.10098 160.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.