CID 15053550

126534-13-2

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₂S

SMILES

CCOC(=O)C1=CSC(=N1)NCC2=CC=CC=C2

InChI

InChI=1S/C13H14N2O2S/c1-2-17-12(16)11-9-18-13(15-11)14-8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,14,15)

InChIKey

JLSAVNDMVKWSPJ-UHFFFAOYSA-N

Compound name

ethyl 2-(benzylamino)-1,3-thiazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 262.0776 Da
Monoisotopic Mass: 3.3
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]+	263.08488	158.8
[M+Na]+	285.06682	169.9
[M+NH4]+	280.11142	166.7
[M+K]+	301.04076	163.2
[M-H]-	261.07032	162.1
[M+Na-2H]-	283.05227	165.7
[M]+	262.07705	161.6
[M]-	262.07815	161.6

Literature stripe

literature stripe

Patent stripe

patents stripe