CID 12450582

4-(pyridin-3-yl)pyrimidin-2-amine

Structural Information

Molecular Formula
C9H8N4
SMILES
C1=CC(=CN=C1)C2=NC(=NC=C2)N
InChI
InChI=1S/C9H8N4/c10-9-12-5-3-8(13-9)7-2-1-4-11-6-7/h1-6H,(H2,10,12,13)
InChIKey
LQHQKYWYKPLKCH-UHFFFAOYSA-N
Compound name
4-pyridin-3-ylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

378
Patents

172.07489 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.082166 135.4
[M+Na]+ 195.064108 144.5
[M-H]- 171.067614 137.9
[M+NH4]+ 190.108713 150.9
[M+K]+ 211.038048 140.4
[M+H-H2O]+ 155.072150 126.2
[M+HCOO]- 217.073091 157.8
[M+CH3COO]- 231.088741 148.1
[M+Na-2H]- 193.049556 145.2
[M]+ 172.07434142 132.9
[M]- 172.07543858 132.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe