CID 10514790

5-chloro-2-(dimethylamino)-1-phenyl-1h-imidazole-4-carbaldehyde

Structural Information

Molecular Formula

C₁₂H₁₂ClN₃O

SMILES

CN(C)C1=NC(=C(N1C2=CC=CC=C2)Cl)C=O

InChI

InChI=1S/C12H12ClN3O/c1-15(2)12-14-10(8-17)11(13)16(12)9-6-4-3-5-7-9/h3-8H,1-2H3

InChIKey

PEQNFSIRQFPUCX-UHFFFAOYSA-N

Compound name

5-chloro-2-(dimethylamino)-1-phenylimidazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 249.0669 Da
Monoisotopic Mass: 2.9
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]+	250.074176	154.0
[M+Na]+	272.056118	164.4
[M-H]-	248.059624	160.0
[M+NH4]+	267.100723	171.8
[M+K]+	288.030058	160.2
[M+H-H2O]+	232.064160	145.8
[M+HCOO]-	294.065101	174.4
[M+CH3COO]-	308.080751	197.9
[M+Na-2H]-	270.041566	157.5
[M]+	249.06635142	158.5
[M]-	249.06744858	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe