CID 66302849

5-bromo-2-(pyridin-4-yl)pyrimidin-4-amine

Structural Information

Molecular Formula
C9H7BrN4
SMILES
C1=CN=CC=C1C2=NC=C(C(=N2)N)Br
InChI
InChI=1S/C9H7BrN4/c10-7-5-13-9(14-8(7)11)6-1-3-12-4-2-6/h1-5H,(H2,11,13,14)
InChIKey
DFAKHBNXHRJXOD-UHFFFAOYSA-N
Compound name
5-bromo-2-pyridin-4-ylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.98541 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.992686 142.3
[M+Na]+ 272.974628 154.9
[M-H]- 248.978134 147.8
[M+NH4]+ 268.019233 158.9
[M+K]+ 288.948568 142.5
[M+H-H2O]+ 232.982670 140.0
[M+HCOO]- 294.983611 162.5
[M+CH3COO]- 308.999261 156.6
[M+Na-2H]- 270.960076 152.3
[M]+ 249.98486142 159.2
[M]- 249.98595858 159.2
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.