CID 1861346

74531-87-6

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₃S

SMILES

CCOC(=O)C(=O)NC1=NC(=CS1)C2=CC=CC=C2

InChI

InChI=1S/C13H12N2O3S/c1-2-18-12(17)11(16)15-13-14-10(8-19-13)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15,16)

InChIKey

JSDDXJXVRWCEBV-UHFFFAOYSA-N

Compound name

ethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 4
Patents: 276.05685 Da
Monoisotopic Mass: 2.8
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]+	277.06413	162.0
[M+Na]+	299.04607	169.4
[M-H]-	275.04957	168.0
[M+NH4]+	294.09067	178.7
[M+K]+	315.02001	166.3
[M+H-H2O]+	259.05411	154.4
[M+HCOO]-	321.05505	181.2
[M+CH3COO]-	335.07070	195.4
[M+Na-2H]-	297.03152	162.8
[M]+	276.05630	165.5
[M]-	276.05740	165.5

Literature stripe

literature stripe

Patent stripe

patents stripe