CID 162345545

Ns00133121

Structural Information

Molecular Formula

C₁₂H₁₃ClN₄O₂S

SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NCl)C

InChI

InChI=1S/C12H13ClN4O2S/c1-8-7-9(2)15-12(14-8)17-20(18,19)11-5-3-10(16-13)4-6-11/h3-7,16H,1-2H3,(H,14,15,17)

InChIKey

UQZDNDCFLDGKLZ-UHFFFAOYSA-N

Compound name

4-(chloroamino)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 312.04477 Da
Monoisotopic Mass: 1.1
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]+	313.052046	167.3
[M+Na]+	335.033988	177.3
[M-H]-	311.037494	172.3
[M+NH4]+	330.078593	180.3
[M+K]+	351.007928	170.9
[M+H-H2O]+	295.042030	159.6
[M+HCOO]-	357.042971	181.1
[M+CH3COO]-	371.058621	205.2
[M+Na-2H]-	333.019436	172.8
[M]+	312.04422142	171.3
[M]-	312.04531858	171.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.