CID 86605233

888314-10-1

Structural Information

Molecular Formula

C₆H₇BrN₂O₂S

SMILES

CN(C(=O)C1=CSC(=N1)Br)OC

InChI

InChI=1S/C6H7BrN2O2S/c1-9(11-2)5(10)4-3-12-6(7)8-4/h3H,1-2H3

InChIKey

AYKXSQPCHDEZTL-UHFFFAOYSA-N

Compound name

2-bromo-N-methoxy-N-methyl-1,3-thiazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 249.94116 Da
Monoisotopic Mass: 1.8
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]+	250.948436	137.1
[M+Na]+	272.930378	149.8
[M-H]-	248.933884	144.4
[M+NH4]+	267.974983	159.6
[M+K]+	288.904318	140.5
[M+H-H2O]+	232.938420	136.5
[M+HCOO]-	294.939361	155.8
[M+CH3COO]-	308.955011	191.5
[M+Na-2H]-	270.915826	141.2
[M]+	249.94061142	160.1
[M]-	249.94170858	160.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe