CID 4169710

N-(4-butyl-6-methyl-2-pyrimidinyl)-p-toluenesulfonamide

Structural Information

Molecular Formula
C16H21N3O2S
SMILES
CCCCC1=NC(=NC(=C1)C)NS(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C16H21N3O2S/c1-4-5-6-14-11-13(3)17-16(18-14)19-22(20,21)15-9-7-12(2)8-10-15/h7-11H,4-6H2,1-3H3,(H,17,18,19)
InChIKey
HCJLBQXPBQNLOW-UHFFFAOYSA-N
Compound name
N-(4-butyl-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.13544 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.142716 175.0
[M+Na]+ 342.124658 183.5
[M-H]- 318.128164 179.4
[M+NH4]+ 337.169263 187.2
[M+K]+ 358.098598 177.8
[M+H-H2O]+ 302.132700 166.1
[M+HCOO]- 364.133641 191.1
[M+CH3COO]- 378.149291 208.4
[M+Na-2H]- 340.110106 178.2
[M]+ 319.13489142 179.1
[M]- 319.13598858 179.1
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