CID 684664

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

Structural Information

Molecular Formula
C17H15N5
SMILES
C1CCN(C1)C2=C(C(=C(C(=N2)N)C#N)C3=CC=CC=C3)C#N
InChI
InChI=1S/C17H15N5/c18-10-13-15(12-6-2-1-3-7-12)14(11-19)17(21-16(13)20)22-8-4-5-9-22/h1-3,6-7H,4-5,8-9H2,(H2,20,21)
InChIKey
DQDILNDNGZRYFK-UHFFFAOYSA-N
Compound name
2-amino-4-phenyl-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

289.13275 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.14003 175.2
[M+Na]+ 312.12197 184.6
[M-H]- 288.12547 177.8
[M+NH4]+ 307.16657 183.5
[M+K]+ 328.09591 176.7
[M+H-H2O]+ 272.13001 156.5
[M+HCOO]- 334.13095 184.8
[M+CH3COO]- 348.14660 180.3
[M+Na-2H]- 310.10742 173.5
[M]+ 289.13220 163.7
[M]- 289.13330 163.7
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.