CID 118753325

Chembl3527430

Structural Information

Molecular Formula

C₁₅H₁₂N₄O₅S

SMILES

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

InChI

InChI=1S/C15H12N4O5S/c1-7-6-25-15(17-7)19-12(21)8-2-9(20)4-10(3-8)24-11-5-16-14(23)18-13(11)22/h2-6,20H,1H3,(H,17,19,21)(H2,16,18,22,23)

InChIKey

AXNPHQPVZJJHQL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 360.05283 Da
Monoisotopic Mass: 1.0
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]+	361.060106	178.6
[M+Na]+	383.042048	188.0
[M-H]-	359.045554	182.4
[M+NH4]+	378.086653	187.1
[M+K]+	399.015988	181.4
[M+H-H2O]+	343.050090	170.2
[M+HCOO]-	405.051031	192.8
[M+CH3COO]-	419.066681	206.0
[M+Na-2H]-	381.027496	178.5
[M]+	360.05228142	180.1
[M]-	360.05337858	180.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.