CID 4249187

72914-19-3

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

9819
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 167.6
[M+Na]+ 291.18316 175.5
[M-H]- 267.18666 171.9
[M+NH4]+ 286.22776 182.0
[M+K]+ 307.15710 171.2
[M+H-H2O]+ 251.19120 159.4
[M+HCOO]- 313.19214 184.8
[M+CH3COO]- 327.20779 201.2
[M+Na-2H]- 289.16861 173.7
[M]+ 268.19339 168.8
[M]- 268.19449 168.8
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