CID 3046303

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

Structural Information

Molecular Formula
C10H15BrClN5
SMILES
CNC1=NC(=C(C(=N1)Cl)Br)N2CCN(CC2)C
InChI
InChI=1S/C10H15BrClN5/c1-13-10-14-8(12)7(11)9(15-10)17-5-3-16(2)4-6-17/h3-6H2,1-2H3,(H,13,14,15)
InChIKey
OYOSJFZROULYPV-UHFFFAOYSA-N
Compound name
5-bromo-4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.01993 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.02721 160.2
[M+Na]+ 342.00915 172.0
[M-H]- 318.01265 163.9
[M+NH4]+ 337.05375 174.2
[M+K]+ 357.98309 158.4
[M+H-H2O]+ 302.01719 157.3
[M+HCOO]- 364.01813 170.7
[M+CH3COO]- 378.03378 172.2
[M+Na-2H]- 339.99460 165.8
[M]+ 319.01938 177.1
[M]- 319.02048 177.1
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

patents stripe