CID 470180

19749-93-0

Structural Information

Molecular Formula

C₉H₁₁ClN₂O₃S

SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)CCl

InChI

InChI=1S/C9H11ClN2O3S/c1-2-15-8(14)3-6-5-16-9(11-6)12-7(13)4-10/h5H,2-4H2,1H3,(H,11,12,13)

InChIKey

HIQNYVMHIBFTCT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 37
Patents: 262.01788 Da
Monoisotopic Mass: 1.3
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]+	263.02516	156.8
[M+Na]+	285.00710	165.6
[M+NH4]+	280.05170	163.3
[M+K]+	300.98104	160.7
[M-H]-	261.01060	156.3
[M+Na-2H]-	282.99255	159.4
[M]+	262.01733	158.2
[M]-	262.01843	158.2

Literature stripe

literature stripe

Patent stripe

patents stripe