CID 4191623

368889-67-2

Structural Information

Molecular Formula

C₁₂H₁₀FN₃O₂S

SMILES

C1=CC(=CC=C1CNC(=O)C(=O)NC2=NC=CS2)F

InChI

InChI=1S/C12H10FN3O2S/c13-9-3-1-8(2-4-9)7-15-10(17)11(18)16-12-14-5-6-19-12/h1-6H,7H2,(H,15,17)(H,14,16,18)

InChIKey

KYLUZUQBTDQGCM-UHFFFAOYSA-N

Compound name

N-[(4-fluorophenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.0478 Da
Monoisotopic Mass: 1.8
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]+	280.055076	159.4
[M+Na]+	302.037018	166.4
[M-H]-	278.040524	163.9
[M+NH4]+	297.081623	175.5
[M+K]+	318.010958	162.4
[M+H-H2O]+	262.045060	150.6
[M+HCOO]-	324.046001	178.6
[M+CH3COO]-	338.061651	198.1
[M+Na-2H]-	300.022466	160.7
[M]+	279.04725142	159.3
[M]-	279.04834858	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.