CID 478111

284681-86-3

Structural Information

Molecular Formula
C14H17N3O3S
SMILES
CCC(C)OC1=NC(=CC(=N1)S(=O)(=O)C2=CC=CC=C2)N
InChI
InChI=1S/C14H17N3O3S/c1-3-10(2)20-14-16-12(15)9-13(17-14)21(18,19)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H2,15,16,17)
InChIKey
CQIBKNIQFCCAEK-UHFFFAOYSA-N
Compound name
6-(benzenesulfonyl)-2-butan-2-yloxypyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.09906 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.10634 169.4
[M+Na]+ 330.08828 177.4
[M-H]- 306.09178 173.4
[M+NH4]+ 325.13288 181.4
[M+K]+ 346.06222 173.0
[M+H-H2O]+ 290.09632 160.8
[M+HCOO]- 352.09726 184.8
[M+CH3COO]- 366.11291 203.6
[M+Na-2H]- 328.07373 172.6
[M]+ 307.09851 172.3
[M]- 307.09961 172.3
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.