CID 118701008

Pf-06260933 dihydrochloride

Structural Information

Molecular Formula
C16H13ClN4
SMILES
C1=CC(=CC=C1C2=C(N=CC(=C2)C3=CN=C(C=C3)N)N)Cl
InChI
InChI=1S/C16H13ClN4/c17-13-4-1-10(2-5-13)14-7-12(9-21-16(14)19)11-3-6-15(18)20-8-11/h1-9H,(H2,18,20)(H2,19,21)
InChIKey
KHPCIHZXOGHCLY-UHFFFAOYSA-N
Compound name
5-(6-amino-3-pyridinyl)-3-(4-chlorophenyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

33
Patents

296.0829 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.090176 168.9
[M+Na]+ 319.072118 178.8
[M-H]- 295.075624 175.5
[M+NH4]+ 314.116723 181.3
[M+K]+ 335.046058 170.8
[M+H-H2O]+ 279.080160 159.2
[M+HCOO]- 341.081101 187.3
[M+CH3COO]- 355.096751 179.9
[M+Na-2H]- 317.057566 173.9
[M]+ 296.08235142 167.7
[M]- 296.08344858 167.7
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