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]+ 322.121996 173.6
[M+Na]+ 344.103938 181.5
[M-H]- 320.107444 177.8
[M+NH4]+ 339.148543 185.3
[M+K]+ 360.077878 176.6
[M+H-H2O]+ 304.111980 164.5
[M+HCOO]- 366.112921 190.3
[M+CH3COO]- 380.128571 206.3
[M+Na-2H]- 342.089386 178.3
[M]+ 321.11417142 178.4
[M]- 321.11526858 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