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]+ 250.99269 142.3
[M+Na]+ 272.97463 154.9
[M-H]- 248.97813 147.8
[M+NH4]+ 268.01923 158.9
[M+K]+ 288.94857 142.5
[M+H-H2O]+ 232.98267 140.0
[M+HCOO]- 294.98361 162.5
[M+CH3COO]- 308.99926 156.6
[M+Na-2H]- 270.96008 152.3
[M]+ 249.98486 159.2
[M]- 249.98596 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.