CID 64622247

1-(5-bromo-1,3,4-thiadiazol-2-yl)piperazine

Structural Information

Molecular Formula

C₆H₉BrN₄S

SMILES

C1CN(CCN1)C2=NN=C(S2)Br

InChI

InChI=1S/C6H9BrN4S/c7-5-9-10-6(12-5)11-3-1-8-2-4-11/h8H,1-4H2

InChIKey

CTWJVUVCUIESTM-UHFFFAOYSA-N

Compound name

2-bromo-5-piperazin-1-yl-1,3,4-thiadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 247.97313 Da
Monoisotopic Mass: 1.2
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]+	248.98041	135.1
[M+Na]+	270.96235	147.3
[M-H]-	246.96585	138.5
[M+NH4]+	266.00695	153.0
[M+K]+	286.93629	135.8
[M+H-H2O]+	230.97039	134.6
[M+HCOO]-	292.97133	146.0
[M+CH3COO]-	306.98698	148.8
[M+Na-2H]-	268.94780	139.4
[M]+	247.97258	150.3
[M]-	247.97368	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe