CID 10977333

1,3-di(pyridin-4-yl)benzene

Structural Information

Molecular Formula
C16H12N2
SMILES
C1=CC(=CC(=C1)C2=CC=NC=C2)C3=CC=NC=C3
InChI
InChI=1S/C16H12N2/c1-2-15(13-4-8-17-9-5-13)12-16(3-1)14-6-10-18-11-7-14/h1-12H
InChIKey
SYGVWHHZHJNDJN-UHFFFAOYSA-N
Compound name
4-(3-pyridin-4-ylphenyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

232.10005 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10733 153.2
[M+Na]+ 255.08927 171.7
[M+NH4]+ 250.13387 163.1
[M+K]+ 271.06321 161.6
[M-H]- 231.09277 160.5
[M+Na-2H]- 253.07472 167.5
[M]+ 232.09950 158.3
[M]- 232.10060 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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