CID 146856

1-dimethylcarbamoyl-2,4,5-tribromoimidazole

Structural Information

Molecular Formula

C₆H₆Br₃N₃O

SMILES

CN(C)C(=O)N1C(=C(N=C1Br)Br)Br

InChI

InChI=1S/C6H6Br3N3O/c1-11(2)6(13)12-4(8)3(7)10-5(12)9/h1-2H3

InChIKey

MQECOKJOKJUMII-UHFFFAOYSA-N

Compound name

2,4,5-tribromo-N,N-dimethylimidazole-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 372.8061 Da
Monoisotopic Mass: 3.0
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]+	373.81338	140.4
[M+Na]+	395.79532	149.5
[M-H]-	371.79882	145.8
[M+NH4]+	390.83992	155.0
[M+K]+	411.76926	134.7
[M+H-H2O]+	355.80336	154.0
[M+HCOO]-	417.80430	151.2
[M+CH3COO]-	431.81995	223.7
[M+Na-2H]-	393.78077	144.6
[M]+	372.80555	182.0
[M]-	372.80665	182.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.