CID 478107

6-phenylsulfanyl-2-sec-butoxy-pyrimidin-4-amine

Structural Information

Molecular Formula
C14H17N3OS
SMILES
CCC(C)OC1=NC(=CC(=N1)SC2=CC=CC=C2)N
InChI
InChI=1S/C14H17N3OS/c1-3-10(2)18-14-16-12(15)9-13(17-14)19-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H2,15,16,17)
InChIKey
PLCXJXMOYUIUKZ-UHFFFAOYSA-N
Compound name
2-butan-2-yloxy-6-phenylsulfanylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.10922 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11650 162.0
[M+Na]+ 298.09844 169.7
[M-H]- 274.10194 165.7
[M+NH4]+ 293.14304 175.6
[M+K]+ 314.07238 164.8
[M+H-H2O]+ 258.10648 153.2
[M+HCOO]- 320.10742 178.3
[M+CH3COO]- 334.12307 200.4
[M+Na-2H]- 296.08389 164.2
[M]+ 275.10867 164.1
[M]- 275.10977 164.1
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.