CID 478101

284681-60-3

Structural Information

Molecular Formula
C16H21N3O3S
SMILES
CCC(C)OC1=NC(=NC(=C1)N)S(=O)(=O)C2=CC(=CC(=C2)C)C
InChI
InChI=1S/C16H21N3O3S/c1-5-12(4)22-15-9-14(17)18-16(19-15)23(20,21)13-7-10(2)6-11(3)8-13/h6-9,12H,5H2,1-4H3,(H2,17,18,19)
InChIKey
GALIPLOGGCHYDY-UHFFFAOYSA-N
Compound name
6-butan-2-yloxy-2-(3,5-dimethylphenyl)sulfonylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.13037 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.13765 178.2
[M+Na]+ 358.11959 187.0
[M-H]- 334.12309 182.6
[M+NH4]+ 353.16419 189.6
[M+K]+ 374.09353 182.3
[M+H-H2O]+ 318.12763 169.6
[M+HCOO]- 380.12857 192.8
[M+CH3COO]- 394.14422 212.1
[M+Na-2H]- 356.10504 179.0
[M]+ 335.12982 182.7
[M]- 335.13092 182.7
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.