CID 199201

3833-54-3

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₄S

SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(C=N2)OCCO

InChI

InChI=1S/C12H13N3O4S/c16-6-7-19-10-8-13-12(14-9-10)15-20(17,18)11-4-2-1-3-5-11/h1-5,8-9,16H,6-7H2,(H,13,14,15)

InChIKey

RVHKPYUHEMOMIZ-UHFFFAOYSA-N

Compound name

N-[5-(2-hydroxyethoxy)pyrimidin-2-yl]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 295.06268 Da
Monoisotopic Mass: 0.4
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]+	296.069956	163.0
[M+Na]+	318.051898	170.7
[M-H]-	294.055404	166.0
[M+NH4]+	313.096503	174.7
[M+K]+	334.025838	166.2
[M+H-H2O]+	278.059940	154.5
[M+HCOO]-	340.060881	179.5
[M+CH3COO]-	354.076531	196.0
[M+Na-2H]-	316.037346	169.8
[M]+	295.06213142	165.9
[M]-	295.06322858	165.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe