CID 4249187

4,4'-di-tert-butyl-2,2'-bipyridine

Structural Information

Molecular Formula
C18H24N2
SMILES
CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C
InChI
InChI=1S/C18H24N2/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6/h7-12H,1-6H3
InChIKey
TXNLQUKVUJITMX-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

71
References

9734
Patents

268.19394 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.20122 168.2
[M+Na]+ 291.18316 183.1
[M+NH4]+ 286.22776 176.2
[M+K]+ 307.15710 175.7
[M-H]- 267.18666 171.5
[M+Na-2H]- 289.16861 177.5
[M]+ 268.19339 171.7
[M]- 268.19449 171.7
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

patents stripe