CID 56923657

6-bromo-2-methylthiazolo[5,4-b]pyridine

Structural Information

Molecular Formula

C₇H₅BrN₂S

SMILES

CC1=NC2=C(S1)N=CC(=C2)Br

InChI

InChI=1S/C7H5BrN2S/c1-4-10-6-2-5(8)3-9-7(6)11-4/h2-3H,1H3

InChIKey

OSJMMGGVXKKBHV-UHFFFAOYSA-N

Compound name

6-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 227.93568 Da
Monoisotopic Mass: 2.7
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]+	228.942956	128.3
[M+Na]+	250.924898	145.2
[M-H]-	226.928404	134.9
[M+NH4]+	245.969503	152.1
[M+K]+	266.898838	133.8
[M+H-H2O]+	210.932940	129.5
[M+HCOO]-	272.933881	146.5
[M+CH3COO]-	286.949531	145.7
[M+Na-2H]-	248.910346	136.4
[M]+	227.93513142	151.6
[M]-	227.93622858	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe