CID 12744614

80353-98-6

Structural Information

Molecular Formula

C₈H₇BrN₂O₂S

SMILES

CCOC(=O)C1=CN2C=C(SC2=N1)Br

InChI

InChI=1S/C8H7BrN2O2S/c1-2-13-7(12)5-3-11-4-6(9)14-8(11)10-5/h3-4H,2H2,1H3

InChIKey

AMWIMQLEHJSRIR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 273.94116 Da
Monoisotopic Mass: 3.4
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]+	274.94844	144.1
[M+Na]+	296.93038	160.2
[M-H]-	272.93388	150.8
[M+NH4]+	291.97498	167.6
[M+K]+	312.90432	150.1
[M+H-H2O]+	256.93842	145.2
[M+HCOO]-	318.93936	162.2
[M+CH3COO]-	332.95501	190.6
[M+Na-2H]-	294.91583	148.1
[M]+	273.94061	169.6
[M]-	273.94171	169.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe