CID 13090133

2-amino-4-phenyl-6-(piperidin-1-yl)pyridine-3,5-dicarbonitrile

Structural Information

Molecular Formula
C18H17N5
SMILES
C1CCN(CC1)C2=C(C(=C(C(=N2)N)C#N)C3=CC=CC=C3)C#N
InChI
InChI=1S/C18H17N5/c19-11-14-16(13-7-3-1-4-8-13)15(12-20)18(22-17(14)21)23-9-5-2-6-10-23/h1,3-4,7-8H,2,5-6,9-10H2,(H2,21,22)
InChIKey
ZNQDXDRNOWMSCF-UHFFFAOYSA-N
Compound name
2-amino-4-phenyl-6-piperidin-1-ylpyridine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.1484 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15568 177.4
[M+Na]+ 326.13762 185.9
[M-H]- 302.14112 179.7
[M+NH4]+ 321.18222 184.1
[M+K]+ 342.11156 178.0
[M+H-H2O]+ 286.14566 158.9
[M+HCOO]- 348.14660 185.4
[M+CH3COO]- 362.16225 181.8
[M+Na-2H]- 324.12307 176.7
[M]+ 303.14785 164.7
[M]- 303.14895 164.7
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

No patent data available for this compound.