CID 478100

284681-59-0

Structural Information

Molecular Formula
C16H21N3OS
SMILES
CCC(C)OC1=NC(=NC(=C1)N)SC2=CC(=CC(=C2)C)C
InChI
InChI=1S/C16H21N3OS/c1-5-12(4)20-15-9-14(17)18-16(19-15)21-13-7-10(2)6-11(3)8-13/h6-9,12H,5H2,1-4H3,(H2,17,18,19)
InChIKey
PAUATVQHWVQGJH-UHFFFAOYSA-N
Compound name
6-butan-2-yloxy-2-(3,5-dimethylphenyl)sulfanylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.14053 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.14781 171.3
[M+Na]+ 326.12975 179.8
[M-H]- 302.13325 175.4
[M+NH4]+ 321.17435 184.3
[M+K]+ 342.10369 174.5
[M+H-H2O]+ 286.13779 162.5
[M+HCOO]- 348.13873 186.8
[M+CH3COO]- 362.15438 208.7
[M+Na-2H]- 324.11520 171.0
[M]+ 303.13998 174.9
[M]- 303.14108 174.9
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.