CID 6512079

Nsc625539

Structural Information

Molecular Formula
C17H14N4
SMILES
C1=CC=C(C=C1)/C(=N\NC2=CC=CC=N2)/C3=CC=CC=N3
InChI
InChI=1S/C17H14N4/c1-2-8-14(9-3-1)17(15-10-4-6-12-18-15)21-20-16-11-5-7-13-19-16/h1-13H,(H,19,20)/b21-17+
InChIKey
ZFZHDOZUCPKKKI-HEHNFIMWSA-N
Compound name
N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

274.12186 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.12914 161.8
[M+Na]+ 297.11108 167.1
[M-H]- 273.11458 169.4
[M+NH4]+ 292.15568 173.9
[M+K]+ 313.08502 161.7
[M+H-H2O]+ 257.11912 150.4
[M+HCOO]- 319.12006 186.4
[M+CH3COO]- 333.13571 172.6
[M+Na-2H]- 295.09653 171.5
[M]+ 274.12131 159.2
[M]- 274.12241 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

patents stripe