CID 3043675

Pyrimidine, 6-butoxy-2-(methylamino)-4-(4-methyl-1-piperazinyl)-5-(methylthio)-, monohydrochloride

Structural Information

Molecular Formula
C15H27N5OS
SMILES
CCCCOC1=NC(=NC(=C1SC)N2CCN(CC2)C)NC
InChI
InChI=1S/C15H27N5OS/c1-5-6-11-21-14-12(22-4)13(17-15(16-2)18-14)20-9-7-19(3)8-10-20/h5-11H2,1-4H3,(H,16,17,18)
InChIKey
KFUJQJBZZDIPPM-UHFFFAOYSA-N
Compound name
4-butoxy-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.19363 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.20091 179.1
[M+Na]+ 348.18285 185.4
[M-H]- 324.18635 179.7
[M+NH4]+ 343.22745 188.6
[M+K]+ 364.15679 180.3
[M+H-H2O]+ 308.19089 168.9
[M+HCOO]- 370.19183 189.7
[M+CH3COO]- 384.20748 212.1
[M+Na-2H]- 346.16830 178.4
[M]+ 325.19308 180.7
[M]- 325.19418 180.7
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.