CID 3042442

2-pyrimidinamine, 4-chloro-n-hexyl-6-(4-methyl-1-piperazinyl)-5-(methylthio)-

Structural Information

Molecular Formula
C16H28ClN5S
SMILES
CCCCCCNC1=NC(=C(C(=N1)Cl)SC)N2CCN(CC2)C
InChI
InChI=1S/C16H28ClN5S/c1-4-5-6-7-8-18-16-19-14(17)13(23-3)15(20-16)22-11-9-21(2)10-12-22/h4-12H2,1-3H3,(H,18,19,20)
InChIKey
CXYLMTHFPIHKDD-UHFFFAOYSA-N
Compound name
4-chloro-N-hexyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.17538 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.18266 186.4
[M+Na]+ 380.16460 198.6
[M+NH4]+ 375.20920 193.1
[M+K]+ 396.13854 188.3
[M-H]- 356.16810 189.0
[M+Na-2H]- 378.15005 190.9
[M]+ 357.17483 189.5
[M]- 357.17593 189.5
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.