CID 3043444

Pyrimidine, 4-chloro-2-(diethylamino)-6-(4-methyl-1-piperazinyl)-5-(methylthio)-, dihydrobromide

Structural Information

Molecular Formula
C14H24ClN5S
SMILES
CCN(CC)C1=NC(=C(C(=N1)Cl)SC)N2CCN(CC2)C
InChI
InChI=1S/C14H24ClN5S/c1-5-19(6-2)14-16-12(15)11(21-4)13(17-14)20-9-7-18(3)8-10-20/h5-10H2,1-4H3
InChIKey
XCEUYPIAVIBJGO-UHFFFAOYSA-N
Compound name
4-chloro-N,N-diethyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1441 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.15138 176.4
[M+Na]+ 352.13332 183.8
[M-H]- 328.13682 178.5
[M+NH4]+ 347.17792 187.3
[M+K]+ 368.10726 178.6
[M+H-H2O]+ 312.14136 166.7
[M+HCOO]- 374.14230 182.8
[M+CH3COO]- 388.15795 214.0
[M+Na-2H]- 350.11877 175.0
[M]+ 329.14355 179.2
[M]- 329.14465 179.2
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.