CID 3046306

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

Structural Information

Molecular Formula
C12H19BrClN5
SMILES
CC(C)NC1=NC(=C(C(=N1)Cl)Br)N2CCN(CC2)C
InChI
InChI=1S/C12H19BrClN5/c1-8(2)15-12-16-10(14)9(13)11(17-12)19-6-4-18(3)5-7-19/h8H,4-7H2,1-3H3,(H,15,16,17)
InChIKey
QZGRWYGWHYXGTA-UHFFFAOYSA-N
Compound name
5-bromo-4-chloro-6-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.05124 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.05852 168.6
[M+Na]+ 370.04046 179.3
[M-H]- 346.04396 172.1
[M+NH4]+ 365.08506 181.4
[M+K]+ 386.01440 165.7
[M+H-H2O]+ 330.04850 165.5
[M+HCOO]- 392.04944 177.5
[M+CH3COO]- 406.06509 210.6
[M+Na-2H]- 368.02591 172.1
[M]+ 347.05069 185.6
[M]- 347.05179 185.6
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