CID 68517105

907545-43-1

Structural Information

Molecular Formula

C₉H₇BrN₂O₂S

SMILES

CCOC(=O)C1=C2C(=NC=C1)N=C(S2)Br

InChI

InChI=1S/C9H7BrN2O2S/c1-2-14-8(13)5-3-4-11-7-6(5)15-9(10)12-7/h3-4H,2H2,1H3

InChIKey

MQKDUAHLDXECQS-UHFFFAOYSA-N

Compound name

ethyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 285.94116 Da
Monoisotopic Mass: 2.9
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]+	286.94844	143.2
[M+Na]+	308.93038	158.7
[M-H]-	284.93388	149.5
[M+NH4]+	303.97498	164.4
[M+K]+	324.90432	147.6
[M+H-H2O]+	268.93842	143.8
[M+HCOO]-	330.93936	160.2
[M+CH3COO]-	344.95501	193.0
[M+Na-2H]-	306.91583	149.4
[M]+	285.94061	168.3
[M]-	285.94171	168.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe