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]+ 290.140026 175.2
[M+Na]+ 312.121968 184.6
[M-H]- 288.125474 177.8
[M+NH4]+ 307.166573 183.5
[M+K]+ 328.095908 176.7
[M+H-H2O]+ 272.130010 156.5
[M+HCOO]- 334.130951 184.8
[M+CH3COO]- 348.146601 180.3
[M+Na-2H]- 310.107416 173.5
[M]+ 289.13220142 163.7
[M]- 289.13329858 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.