CID 670288

123458-65-1

Structural Information

Molecular Formula

C₁₃H₁₅N₃O₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C13H15N3O2S/c1-9-4-6-12(7-5-9)19(17,18)16-13-14-10(2)8-11(3)15-13/h4-8H,1-3H3,(H,14,15,16)

InChIKey

PJKGKLPRSSNDFO-UHFFFAOYSA-N

Compound name

N-(4,6-dimethylpyrimidin-2-yl)-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 277.0885 Da
Monoisotopic Mass: 1.3
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]+	278.095776	162.0
[M+Na]+	300.077718	172.0
[M-H]-	276.081224	167.0
[M+NH4]+	295.122323	176.0
[M+K]+	316.051658	166.9
[M+H-H2O]+	260.085760	153.8
[M+HCOO]-	322.086701	179.1
[M+CH3COO]-	336.102351	199.4
[M+Na-2H]-	298.063166	166.7
[M]+	277.08795142	165.1
[M]-	277.08904858	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe