CID 3043439

Pyrimidine, 4-chloro-6-(4-methyl-1-piperazinyl)-5-(methylthio)-2-piperidino-, hydrochloride

Structural Information

Molecular Formula
C15H24ClN5S
SMILES
CN1CCN(CC1)C2=C(C(=NC(=N2)N3CCCCC3)Cl)SC
InChI
InChI=1S/C15H24ClN5S/c1-19-8-10-20(11-9-19)14-12(22-2)13(16)17-15(18-14)21-6-4-3-5-7-21/h3-11H2,1-2H3
InChIKey
SSASAVPQRKCLQY-UHFFFAOYSA-N
Compound name
4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-2-piperidin-1-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

341.1441 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.15138 181.0
[M+Na]+ 364.13332 187.1
[M-H]- 340.13682 182.3
[M+NH4]+ 359.17792 188.7
[M+K]+ 380.10726 180.2
[M+H-H2O]+ 324.14136 169.6
[M+HCOO]- 386.14230 181.4
[M+CH3COO]- 400.15795 187.8
[M+Na-2H]- 362.11877 178.2
[M]+ 341.14355 177.2
[M]- 341.14465 177.2
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.