CID 4086610

N-(5-butoxy-2-pyrimidinyl)-p-toluenesulfonamide

Structural Information

Molecular Formula
C15H19N3O3S
SMILES
CCCCOC1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C15H19N3O3S/c1-3-4-9-21-13-10-16-15(17-11-13)18-22(19,20)14-7-5-12(2)6-8-14/h5-8,10-11H,3-4,9H2,1-2H3,(H,16,17,18)
InChIKey
VUTLOGVSBZVXPK-UHFFFAOYSA-N
Compound name
N-(5-butoxypyrimidin-2-yl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.11472 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12200 173.6
[M+Na]+ 344.10394 181.5
[M-H]- 320.10744 177.8
[M+NH4]+ 339.14854 185.3
[M+K]+ 360.07788 176.6
[M+H-H2O]+ 304.11198 164.5
[M+HCOO]- 366.11292 190.3
[M+CH3COO]- 380.12857 206.3
[M+Na-2H]- 342.08939 178.3
[M]+ 321.11417 178.4
[M]- 321.11527 178.4
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