CID 478112

284681-88-5

Structural Information

Molecular Formula
C15H19N3O3S
SMILES
CCC(C)OC1=NC(=CC(=N1)S(=O)(=O)C2=CC=CC(=C2)C)N
InChI
InChI=1S/C15H19N3O3S/c1-4-11(3)21-15-17-13(16)9-14(18-15)22(19,20)12-7-5-6-10(2)8-12/h5-9,11H,4H2,1-3H3,(H2,16,17,18)
InChIKey
PRVUWMODRYWLGY-UHFFFAOYSA-N
Compound name
2-butan-2-yloxy-6-(3-methylphenyl)sulfonylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.11472 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12200 173.9
[M+Na]+ 344.10394 182.3
[M-H]- 320.10744 178.0
[M+NH4]+ 339.14854 185.6
[M+K]+ 360.07788 177.7
[M+H-H2O]+ 304.11198 165.3
[M+HCOO]- 366.11292 188.9
[M+CH3COO]- 380.12857 207.8
[M+Na-2H]- 342.08939 175.9
[M]+ 321.11417 177.6
[M]- 321.11527 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.