CID 29922258

380626-32-4

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₃S

SMILES

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

InChI

InChI=1S/C13H14N2O3S/c1-3-18-12(16)11-10(15-13(14)19-11)8-4-6-9(17-2)7-5-8/h4-7H,3H2,1-2H3,(H2,14,15)

InChIKey

YHJVTNQLQOBMRK-UHFFFAOYSA-N

Compound name

ethyl 2-amino-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 278.0725 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]+	279.079776	161.8
[M+Na]+	301.061718	170.7
[M-H]-	277.065224	167.8
[M+NH4]+	296.106323	178.7
[M+K]+	317.035658	167.4
[M+H-H2O]+	261.069760	154.5
[M+HCOO]-	323.070701	181.1
[M+CH3COO]-	337.086351	198.5
[M+Na-2H]-	299.047166	161.4
[M]+	278.07195142	166.5
[M]-	278.07304858	166.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe