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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	326.200906	179.1
[M+Na]+	348.182848	185.4
[M-H]-	324.186354	179.7
[M+NH4]+	343.227453	188.6
[M+K]+	364.156788	180.3
[M+H-H2O]+	308.190890	168.9
[M+HCOO]-	370.191831	189.7
[M+CH3COO]-	384.207481	212.1
[M+Na-2H]-	346.168296	178.4
[M]+	325.19308142	180.7
[M]-	325.19417858	180.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.