CID 59053204

1250997-71-7

Structural Information

Molecular Formula

C₇H₆BrN₃O₂S

SMILES

CCOC(=O)C1=CN2C(=N1)SC(=N2)Br

InChI

InChI=1S/C7H6BrN3O2S/c1-2-13-5(12)4-3-11-7(9-4)14-6(8)10-11/h3H,2H2,1H3

InChIKey

CULJNUPGWIINQJ-UHFFFAOYSA-N

Compound name

ethyl 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 274.9364 Da
Monoisotopic Mass: 2.4
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]+	275.94368	148.0
[M+Na]+	297.92562	150.1
[M+NH4]+	292.97022	151.8
[M+K]+	313.89956	152.7
[M-H]-	273.92912	146.1
[M+Na-2H]-	295.91107	148.7
[M]+	274.93585	146.7
[M]-	274.93695	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe