CID 174984

72230-93-4

Structural Information

Molecular Formula
C28H44N2
SMILES
CCCCC(CCCC)C1=CC(=NC=C1)C2=NC=CC(=C2)C(CCCC)CCCC
InChI
InChI=1S/C28H44N2/c1-5-9-13-23(14-10-6-2)25-17-19-29-27(21-25)28-22-26(18-20-30-28)24(15-11-7-3)16-12-8-4/h17-24H,5-16H2,1-4H3
InChIKey
BLDQUHPMDSICNF-UHFFFAOYSA-N
Compound name
4-nonan-5-yl-2-(4-nonan-5-ylpyridin-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

780
Patents

408.35046 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.35774 211.9
[M+Na]+ 431.33968 213.6
[M-H]- 407.34318 213.3
[M+NH4]+ 426.38428 219.7
[M+K]+ 447.31362 206.8
[M+H-H2O]+ 391.34772 200.3
[M+HCOO]- 453.34866 226.6
[M+CH3COO]- 467.36431 232.6
[M+Na-2H]- 429.32513 208.6
[M]+ 408.34991 216.3
[M]- 408.35101 216.3
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