CID 2776507

423768-43-8

Structural Information

Molecular Formula

C₁₀H₈BrN₃OS

SMILES

CC1=C(SC(=N1)C2=NC=CN=C2)C(=O)CBr

InChI

InChI=1S/C10H8BrN3OS/c1-6-9(8(15)4-11)16-10(14-6)7-5-12-2-3-13-7/h2-3,5H,4H2,1H3

InChIKey

PQWKERRFBZJRSD-UHFFFAOYSA-N

Compound name

2-bromo-1-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 296.95715 Da
Monoisotopic Mass: 1.7
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]+	297.96443	146.0
[M+Na]+	319.94637	160.3
[M-H]-	295.94987	152.9
[M+NH4]+	314.99097	164.3
[M+K]+	335.92031	148.5
[M+H-H2O]+	279.95441	145.4
[M+HCOO]-	341.95535	161.6
[M+CH3COO]-	355.97100	161.1
[M+Na-2H]-	317.93182	150.1
[M]+	296.95660	168.1
[M]-	296.95770	168.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe