CID 3299044

2-tert-butyl-4,6-diphenyl-pyridine

Structural Information

Molecular Formula
C21H21N
SMILES
CC(C)(C)C1=CC(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H21N/c1-21(2,3)20-15-18(16-10-6-4-7-11-16)14-19(22-20)17-12-8-5-9-13-17/h4-15H,1-3H3
InChIKey
WFBJCPZGNIUCHO-UHFFFAOYSA-N
Compound name
2-tert-butyl-4,6-diphenylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

287.1674 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17468 170.6
[M+Na]+ 310.15662 178.0
[M-H]- 286.16012 178.9
[M+NH4]+ 305.20122 184.7
[M+K]+ 326.13056 171.9
[M+H-H2O]+ 270.16466 161.1
[M+HCOO]- 332.16560 190.9
[M+CH3COO]- 346.18125 181.9
[M+Na-2H]- 308.14207 176.6
[M]+ 287.16685 170.0
[M]- 287.16795 170.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.