CID 3046309

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

Structural Information

Molecular Formula
C9H13BrClN5
SMILES
CN1CCN(CC1)C2=C(C(=NC(=N2)N)Cl)Br
InChI
InChI=1S/C9H13BrClN5/c1-15-2-4-16(5-3-15)8-6(10)7(11)13-9(12)14-8/h2-5H2,1H3,(H2,12,13,14)
InChIKey
PKHTXFLSLWMUGZ-UHFFFAOYSA-N
Compound name
5-bromo-4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

305.0043 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.01158 156.6
[M+Na]+ 327.99352 168.9
[M-H]- 303.99702 160.1
[M+NH4]+ 323.03812 170.9
[M+K]+ 343.96746 155.2
[M+H-H2O]+ 288.00156 154.0
[M+HCOO]- 350.00250 166.9
[M+CH3COO]- 364.01815 168.8
[M+Na-2H]- 325.97897 161.7
[M]+ 305.00375 172.3
[M]- 305.00485 172.3
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

patents stripe