CID 392778

199596-05-9

Structural Information

Molecular Formula
C17H13ClN4
SMILES
C1=CC=C(C=C1)C(=NNC2=NC=C(C=C2)Cl)C3=CC=CC=N3
InChI
InChI=1S/C17H13ClN4/c18-14-9-10-16(20-12-14)21-22-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12H,(H,20,21)
InChIKey
YHHFKWKMXWRVTJ-UHFFFAOYSA-N
Compound name
5-chloro-N-[[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

36
References

322
Patents

308.0829 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09018 171.1
[M+Na]+ 331.07212 187.8
[M+NH4]+ 326.11672 179.9
[M+K]+ 347.04606 177.8
[M-H]- 307.07562 178.8
[M+Na-2H]- 329.05757 184.4
[M]+ 308.08235 176.1
[M]- 308.08345 176.1
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

No patent data available for this compound.