CID 478095

284681-54-5

Structural Information

Molecular Formula
C14H16FN3OS
SMILES
CCC(C)OC1=NC(=NC(=C1)N)SC2=CC=C(C=C2)F
InChI
InChI=1S/C14H16FN3OS/c1-3-9(2)19-13-8-12(16)17-14(18-13)20-11-6-4-10(15)5-7-11/h4-9H,3H2,1-2H3,(H2,16,17,18)
InChIKey
UURKELCZHKBJLY-UHFFFAOYSA-N
Compound name
6-butan-2-yloxy-2-(4-fluorophenyl)sulfanylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.09982 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10710 164.7
[M+Na]+ 316.08904 173.2
[M-H]- 292.09254 167.3
[M+NH4]+ 311.13364 177.7
[M+K]+ 332.06298 167.8
[M+H-H2O]+ 276.09708 155.0
[M+HCOO]- 338.09802 179.8
[M+CH3COO]- 352.11367 204.2
[M+Na-2H]- 314.07449 165.5
[M]+ 293.09927 166.2
[M]- 293.10037 166.2
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.