CID 3043452

2-pyrimidinamine, 4-(2-ethoxyethyl)-n-methyl-6-(4-methyl-1-piperazinyl)-5-(methylthio)-, monohydrochloride

Structural Information

Molecular Formula
C15H27N5O2S
SMILES
CCOCCOC1=NC(=NC(=C1SC)N2CCN(CC2)C)NC
InChI
InChI=1S/C15H27N5O2S/c1-5-21-10-11-22-14-12(23-4)13(17-15(16-2)18-14)20-8-6-19(3)7-9-20/h5-11H2,1-4H3,(H,16,17,18)
InChIKey
BSXNKXJYNAPWTB-UHFFFAOYSA-N
Compound name
4-(2-ethoxyethoxy)-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

341.18854 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.19582 181.9
[M+Na]+ 364.17776 187.8
[M-H]- 340.18126 182.4
[M+NH4]+ 359.22236 190.5
[M+K]+ 380.15170 183.3
[M+H-H2O]+ 324.18580 171.5
[M+HCOO]- 386.18674 192.6
[M+CH3COO]- 400.20239 214.2
[M+Na-2H]- 362.16321 181.4
[M]+ 341.18799 184.8
[M]- 341.18909 184.8
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.