CID 71105

Azintamide

Structural Information

Molecular Formula

C₁₀H₁₄ClN₃OS

SMILES

CCN(CC)C(=O)CSC1=NN=C(C=C1)Cl

InChI

InChI=1S/C10H14ClN3OS/c1-3-14(4-2)10(15)7-16-9-6-5-8(11)12-13-9/h5-6H,3-4,7H2,1-2H3

InChIKey

SSLKKMZJCJBOML-UHFFFAOYSA-N

Compound name

2-(6-chloropyridazin-3-yl)sulfanyl-N,N-diethylacetamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 7
References: 417
Patents: 259.0546 Da
Monoisotopic Mass: 1.9
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]+	260.061876	154.1
[M+Na]+	282.043818	162.2
[M-H]-	258.047324	156.5
[M+NH4]+	277.088423	170.3
[M+K]+	298.017758	158.6
[M+H-H2O]+	242.051860	146.9
[M+HCOO]-	304.052801	166.8
[M+CH3COO]-	318.068451	197.9
[M+Na-2H]-	280.029266	156.1
[M]+	259.05405142	160.2
[M]-	259.05514858	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe