CID 478087

284681-46-5

Structural Information

Molecular Formula
C15H19N3OS
SMILES
CCC(C)OC1=NC(=NC(=C1)N)SC2=CC=CC(=C2)C
InChI
InChI=1S/C15H19N3OS/c1-4-11(3)19-14-9-13(16)17-15(18-14)20-12-7-5-6-10(2)8-12/h5-9,11H,4H2,1-3H3,(H2,16,17,18)
InChIKey
MGHQYNZKXNVEGN-UHFFFAOYSA-N
Compound name
6-butan-2-yloxy-2-(3-methylphenyl)sulfanylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.12488 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13216 166.7
[M+Na]+ 312.11410 174.8
[M-H]- 288.11760 170.6
[M+NH4]+ 307.15870 180.0
[M+K]+ 328.08804 169.7
[M+H-H2O]+ 272.12214 157.9
[M+HCOO]- 334.12308 182.6
[M+CH3COO]- 348.13873 204.6
[M+Na-2H]- 310.09955 167.6
[M]+ 289.12433 169.6
[M]- 289.12543 169.6
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.