CID 154092612

Ns00133162

Structural Information

Molecular Formula

C₁₂H₁₃ClN₄O₄S

SMILES

COC1=NC(=NC(=C1Cl)NS(=O)(=O)C2=CC=C(C=C2)N)OC

InChI

InChI=1S/C12H13ClN4O4S/c1-20-11-9(13)10(15-12(16-11)21-2)17-22(18,19)8-5-3-7(14)4-6-8/h3-6H,14H2,1-2H3,(H,15,16,17)

InChIKey

VEPZHWCVODKDFD-UHFFFAOYSA-N

Compound name

4-amino-N-(5-chloro-2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 344.0346 Da
Monoisotopic Mass: 1.6
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]+	345.041876	173.2
[M+Na]+	367.023818	183.3
[M-H]-	343.027324	178.0
[M+NH4]+	362.068423	184.6
[M+K]+	382.997758	178.1
[M+H-H2O]+	327.031860	165.4
[M+HCOO]-	389.032801	186.7
[M+CH3COO]-	403.048451	210.4
[M+Na-2H]-	365.009266	177.5
[M]+	344.03405142	179.4
[M]-	344.03514858	179.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.