CID 2733245

64987-03-7

Structural Information

Molecular Formula

C₈H₈N₂O₄S

SMILES

CCOC(=O)C(=O)C1=CSC(=N1)NC=O

InChI

InChI=1S/C8H8N2O4S/c1-2-14-7(13)6(12)5-3-15-8(10-5)9-4-11/h3-4H,2H2,1H3,(H,9,10,11)

InChIKey

NTACMHVXGGGRQU-UHFFFAOYSA-N

Compound name

ethyl 2-(2-formamido-1,3-thiazol-4-yl)-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 129
Patents: 228.02048 Da
Monoisotopic Mass: 0.9
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]+	229.02776	149.6
[M+Na]+	251.00970	157.4
[M+NH4]+	246.05430	155.1
[M+K]+	266.98364	154.0
[M-H]-	227.01320	148.4
[M+Na-2H]-	248.99515	151.8
[M]+	228.01993	150.3
[M]-	228.02103	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe