CID 478094

284681-53-4

Structural Information

Molecular Formula
C15H19N3O2S
SMILES
CCC(C)OC1=NC(=NC(=C1)N)SC2=CC=C(C=C2)OC
InChI
InChI=1S/C15H19N3O2S/c1-4-10(2)20-14-9-13(16)17-15(18-14)21-12-7-5-11(19-3)6-8-12/h5-10H,4H2,1-3H3,(H2,16,17,18)
InChIKey
AUSOMXSSUAXDGF-UHFFFAOYSA-N
Compound name
6-butan-2-yloxy-2-(4-methoxyphenyl)sulfanylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.1198 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12708 170.0
[M+Na]+ 328.10902 177.8
[M-H]- 304.11252 173.9
[M+NH4]+ 323.15362 182.5
[M+K]+ 344.08296 173.3
[M+H-H2O]+ 288.11706 160.9
[M+HCOO]- 350.11800 186.1
[M+CH3COO]- 364.13365 206.6
[M+Na-2H]- 326.09447 171.1
[M]+ 305.11925 174.3
[M]- 305.12035 174.3
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.