CID 43445069

5-ethyl-2-phenyl-1h-imidazole-4-carboxylic acid

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂

SMILES

CCC1=C(N=C(N1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C12H12N2O2/c1-2-9-10(12(15)16)14-11(13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,13,14)(H,15,16)

InChIKey

YCDMTIOUKDGVLV-UHFFFAOYSA-N

Compound name

5-ethyl-2-phenyl-1H-imidazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 216.08987 Da
Monoisotopic Mass: 2.4
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]+	217.097146	147.3
[M+Na]+	239.079088	155.6
[M-H]-	215.082594	149.3
[M+NH4]+	234.123693	163.6
[M+K]+	255.053028	151.3
[M+H-H2O]+	199.087130	139.8
[M+HCOO]-	261.088071	167.2
[M+CH3COO]-	275.103721	182.6
[M+Na-2H]-	237.064536	150.4
[M]+	216.08932142	146.1
[M]-	216.09041858	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.