CID 4285174

4,4'-dinonyl-2,2'-bipyridine

Structural Information

Molecular Formula
C28H44N2
SMILES
CCCCCCCCCC1=CC(=NC=C1)C2=NC=CC(=C2)CCCCCCCCC
InChI
InChI=1S/C28H44N2/c1-3-5-7-9-11-13-15-17-25-19-21-29-27(23-25)28-24-26(20-22-30-28)18-16-14-12-10-8-6-4-2/h19-24H,3-18H2,1-2H3
InChIKey
VHJFWJXYEWHCGD-UHFFFAOYSA-N
Compound name
4-nonyl-2-(4-nonylpyridin-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1440
Patents

408.35046 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.35774 211.3
[M+Na]+ 431.33968 213.5
[M-H]- 407.34318 212.4
[M+NH4]+ 426.38428 219.2
[M+K]+ 447.31362 205.7
[M+H-H2O]+ 391.34772 199.3
[M+HCOO]- 453.34866 228.0
[M+CH3COO]- 467.36431 231.0
[M+Na-2H]- 429.32513 210.3
[M]+ 408.34991 216.8
[M]- 408.35101 216.8
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