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]+ 330.151376 176.4
[M+Na]+ 352.133318 183.8
[M-H]- 328.136824 178.5
[M+NH4]+ 347.177923 187.3
[M+K]+ 368.107258 178.6
[M+H-H2O]+ 312.141360 166.7
[M+HCOO]- 374.142301 182.8
[M+CH3COO]- 388.157951 214.0
[M+Na-2H]- 350.118766 175.0
[M]+ 329.14355142 179.2
[M]- 329.14464858 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.