CID 117275708

1896753-11-9

Structural Information

Molecular Formula

C₉H₉N₃O₂S

SMILES

CCOC(=O)C1=CC2=C(N=C1)N=C(S2)N

InChI

InChI=1S/C9H9N3O2S/c1-2-14-8(13)5-3-6-7(11-4-5)12-9(10)15-6/h3-4H,2H2,1H3,(H2,10,11,12)

InChIKey

HGLAWSVNBBWRBK-UHFFFAOYSA-N

Compound name

ethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 223.04155 Da
Monoisotopic Mass: 1.5
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]+	224.048826	144.8
[M+Na]+	246.030768	156.0
[M-H]-	222.034274	147.6
[M+NH4]+	241.075373	163.9
[M+K]+	262.004708	152.7
[M+H-H2O]+	206.038810	138.2
[M+HCOO]-	268.039751	163.8
[M+CH3COO]-	282.055401	187.5
[M+Na-2H]-	244.016216	148.6
[M]+	223.04100142	149.7
[M]-	223.04209858	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe