CID 74890605

5-bromo-thiazole-2-carboxylic acid methylamide

Structural Information

Molecular Formula

C₅H₅BrN₂OS

SMILES

CNC(=O)C1=NC=C(S1)Br

InChI

InChI=1S/C5H5BrN2OS/c1-7-4(9)5-8-2-3(6)10-5/h2H,1H3,(H,7,9)

InChIKey

CTVGJKALORKODT-UHFFFAOYSA-N

Compound name

5-bromo-N-methyl-1,3-thiazole-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 219.9306 Da
Monoisotopic Mass: 1.6
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]+	220.93788	131.2
[M+Na]+	242.91982	132.4
[M+NH4]+	237.96442	136.0
[M+K]+	258.89376	133.7
[M-H]-	218.92332	131.0
[M+Na-2H]-	240.90527	133.5
[M]+	219.93005	130.3
[M]-	219.93115	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe