CID 45789977

934266-82-7

Structural Information

Molecular Formula

C₆H₄BrN₃S

SMILES

C1=CC(=NC2=C1N=C(S2)N)Br

InChI

InChI=1S/C6H4BrN3S/c7-4-2-1-3-5(10-4)11-6(8)9-3/h1-2H,(H2,8,9)

InChIKey

XYEWTFOCPLSOIC-UHFFFAOYSA-N

Compound name

5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 228.93092 Da
Monoisotopic Mass: 2.3
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]+	229.93820	130.3
[M+Na]+	251.92014	134.3
[M+NH4]+	246.96474	136.1
[M+K]+	267.89408	134.4
[M-H]-	227.92364	131.2
[M+Na-2H]-	249.90559	134.3
[M]+	228.93037	130.3
[M]-	228.93147	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe