CID 73239

64399-23-1

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂S

SMILES

CCOC(=O)C1=C(N=C(S1)N)C2=CC=CC=C2

InChI

InChI=1S/C12H12N2O2S/c1-2-16-11(15)10-9(14-12(13)17-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,13,14)

InChIKey

OZMXFXOHCUEEPD-UHFFFAOYSA-N

Compound name

ethyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 294
Patents: 248.06195 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]+	249.06923	154.3
[M+Na]+	271.05117	163.1
[M-H]-	247.05467	160.1
[M+NH4]+	266.09577	172.3
[M+K]+	287.02511	159.4
[M+H-H2O]+	231.05921	147.1
[M+HCOO]-	293.06015	173.8
[M+CH3COO]-	307.07580	192.2
[M+Na-2H]-	269.03662	154.9
[M]+	248.06140	156.9
[M]-	248.06250	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe