CID 478104

284681-63-6

Structural Information

Molecular Formula
C14H16ClN3O3S
SMILES
CCC(C)OC1=NC(=NC(=C1)N)S(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H16ClN3O3S/c1-3-9(2)21-13-8-12(16)17-14(18-13)22(19,20)11-6-4-10(15)5-7-11/h4-9H,3H2,1-2H3,(H2,16,17,18)
InChIKey
GEMBWECRCPHCSR-UHFFFAOYSA-N
Compound name
6-butan-2-yloxy-2-(4-chlorophenyl)sulfonylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.0601 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.06738 174.3
[M+Na]+ 364.04932 183.7
[M-H]- 340.05282 178.7
[M+NH4]+ 359.09392 186.1
[M+K]+ 380.02326 178.0
[M+H-H2O]+ 324.05736 166.6
[M+HCOO]- 386.05830 185.1
[M+CH3COO]- 400.07395 208.5
[M+Na-2H]- 362.03477 176.5
[M]+ 341.05955 179.7
[M]- 341.06065 179.7
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

No patent data available for this compound.