CID 215122

Dtxsid80956470

Structural Information

Molecular Formula

C₉H₁₄ClN₃OS

SMILES

CCN(CC)CC(=O)NC1=NC=C(S1)Cl

InChI

InChI=1S/C9H14ClN3OS/c1-3-13(4-2)6-8(14)12-9-11-5-7(10)15-9/h5H,3-4,6H2,1-2H3,(H,11,12,14)

InChIKey

CFVZCACWCUQKCD-UHFFFAOYSA-N

Compound name

N-(5-chloro-1,3-thiazol-2-yl)-2-(diethylamino)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 247.05461 Da
Monoisotopic Mass: 2.2
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]+	248.061886	154.9
[M+Na]+	270.043828	162.4
[M-H]-	246.047334	158.8
[M+NH4]+	265.088433	174.2
[M+K]+	286.017768	159.4
[M+H-H2O]+	230.051870	148.4
[M+HCOO]-	292.052811	170.7
[M+CH3COO]-	306.068461	197.1
[M+Na-2H]-	268.029276	155.2
[M]+	247.05406142	160.1
[M]-	247.05515858	160.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe