CID 4407216

58345-97-4

Structural Information

Molecular Formula
C21H15N3
SMILES
C1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC=CC=N3)C4=CC=CC=N4
InChI
InChI=1S/C21H15N3/c1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19/h1-15H
InChIKey
RTECKDZOLWRAGK-UHFFFAOYSA-N
Compound name
4-phenyl-2,6-dipyridin-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

89
Patents

309.1266 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.13388 175.2
[M+Na]+ 332.11582 183.1
[M-H]- 308.11932 183.2
[M+NH4]+ 327.16042 184.3
[M+K]+ 348.08976 174.9
[M+H-H2O]+ 292.12386 162.2
[M+HCOO]- 354.12480 195.0
[M+CH3COO]- 368.14045 185.1
[M+Na-2H]- 330.10127 182.8
[M]+ 309.12605 172.9
[M]- 309.12715 172.9
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

patents stripe