CID 21075862

669066-89-1

Structural Information

Molecular Formula

C₆H₆BrN₃O

SMILES

C1=C(C=NC(=C1N)C(=O)N)Br

InChI

InChI=1S/C6H6BrN3O/c7-3-1-4(8)5(6(9)11)10-2-3/h1-2H,8H2,(H2,9,11)

InChIKey

VKYMXWCCSJWUQY-UHFFFAOYSA-N

Compound name

3-amino-5-bromopyridine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 208
Patents: 214.96942 Da
Monoisotopic Mass: 0.6
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]+	215.976696	134.7
[M+Na]+	237.958638	146.2
[M-H]-	213.962144	139.2
[M+NH4]+	233.003243	154.5
[M+K]+	253.932578	134.7
[M+H-H2O]+	197.966680	133.1
[M+HCOO]-	259.967621	156.3
[M+CH3COO]-	273.983271	187.9
[M+Na-2H]-	235.944086	141.2
[M]+	214.96887142	149.8
[M]-	214.96996858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe