CID 1963831

331829-80-2

Structural Information

Molecular Formula

C₁₁H₁₀N₄O₂S

SMILES

C1=CC(=CN=C1)CNC(=O)C(=O)NC2=NC=CS2

InChI

InChI=1S/C11H10N4O2S/c16-9(10(17)15-11-13-4-5-18-11)14-7-8-2-1-3-12-6-8/h1-6H,7H2,(H,14,16)(H,13,15,17)

InChIKey

MLOMIIQWTGXAGE-UHFFFAOYSA-N

Compound name

N-(pyridin-3-ylmethyl)-N'-(1,3-thiazol-2-yl)oxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 262.05246 Da
Monoisotopic Mass: 0.6
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]+	263.059736	156.1
[M+Na]+	285.041678	162.8
[M-H]-	261.045184	160.7
[M+NH4]+	280.086283	171.4
[M+K]+	301.015618	159.4
[M+H-H2O]+	245.049720	147.6
[M+HCOO]-	307.050661	175.6
[M+CH3COO]-	321.066311	194.0
[M+Na-2H]-	283.027126	159.4
[M]+	262.05191142	156.9
[M]-	262.05300858	156.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.