CID 670288

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

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

5
Patents

277.0885 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09578 162.4
[M+Na]+ 300.07772 176.1
[M+NH4]+ 295.12232 169.4
[M+K]+ 316.05166 168.1
[M-H]- 276.08122 165.3
[M+Na-2H]- 298.06317 170.4
[M]+ 277.08795 165.7
[M]- 277.08905 165.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe