CID 81935584

5-(5-fluoropyridin-3-yl)pyrimidin-2-amine

Structural Information

Molecular Formula
C9H7FN4
SMILES
C1=C(C=NC=C1F)C2=CN=C(N=C2)N
InChI
InChI=1S/C9H7FN4/c10-8-1-6(2-12-5-8)7-3-13-9(11)14-4-7/h1-5H,(H2,11,13,14)
InChIKey
ZIVQFAOYFKIQEM-UHFFFAOYSA-N
Compound name
5-(5-fluoro-3-pyridinyl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.06548 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.072756 138.5
[M+Na]+ 213.054698 148.6
[M-H]- 189.058204 140.1
[M+NH4]+ 208.099303 153.6
[M+K]+ 229.028638 144.1
[M+H-H2O]+ 173.062740 128.6
[M+HCOO]- 235.063681 159.9
[M+CH3COO]- 249.079331 151.0
[M+Na-2H]- 211.040146 146.9
[M]+ 190.06493142 135.4
[M]- 190.06602858 135.4
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.