CID 118753261

Chembl3527123

Structural Information

Molecular Formula

C₁₅H₁₁FN₄O₄S

SMILES

CC1=CSC(=N1)NC(=O)C2=CC(=CC(=C2)F)OC3=CNC(=O)NC3=O

InChI

InChI=1S/C15H11FN4O4S/c1-7-6-25-15(18-7)20-12(21)8-2-9(16)4-10(3-8)24-11-5-17-14(23)19-13(11)22/h2-6H,1H3,(H,18,20,21)(H2,17,19,22,23)

InChIKey

MJXITVJSQJJGEJ-UHFFFAOYSA-N

Compound name

3-[(2,4-dioxo-1H-pyrimidin-5-yl)oxy]-5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 362.0485 Da
Monoisotopic Mass: 1.5
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]+	363.055776	178.1
[M+Na]+	385.037718	188.5
[M-H]-	361.041224	181.9
[M+NH4]+	380.082323	187.4
[M+K]+	401.011658	181.3
[M+H-H2O]+	345.045760	168.6
[M+HCOO]-	407.046701	192.6
[M+CH3COO]-	421.062351	208.3
[M+Na-2H]-	383.023166	177.6
[M]+	362.04795142	179.2
[M]-	362.04904858	179.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.