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]+ 320.14272 175.0
[M+Na]+ 342.12466 183.5
[M-H]- 318.12816 179.4
[M+NH4]+ 337.16926 187.2
[M+K]+ 358.09860 177.8
[M+H-H2O]+ 302.13270 166.1
[M+HCOO]- 364.13364 191.1
[M+CH3COO]- 378.14929 208.4
[M+Na-2H]- 340.11011 178.2
[M]+ 319.13489 179.1
[M]- 319.13599 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