CID 54711789

Chembl218164

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₄S

SMILES

CCN1C2=C(C(=C(C1=O)C(=O)OC)O)N=CS2

InChI

InChI=1S/C10H10N2O4S/c1-3-12-8(14)5(10(15)16-2)7(13)6-9(12)17-4-11-6/h4,13H,3H2,1-2H3

InChIKey

PICAMRICRGJLBS-UHFFFAOYSA-N

Compound name

methyl 4-ethyl-7-hydroxy-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 254.03613 Da
Monoisotopic Mass: 1.3
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]+	255.043406	151.2
[M+Na]+	277.025348	163.8
[M-H]-	253.028854	153.7
[M+NH4]+	272.069953	169.2
[M+K]+	292.999288	160.5
[M+H-H2O]+	237.033390	145.4
[M+HCOO]-	299.034331	168.4
[M+CH3COO]-	313.049981	189.7
[M+Na-2H]-	275.010796	153.2
[M]+	254.03558142	159.2
[M]-	254.03667858	159.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.