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

literature stripe

Patent stripe

patents stripe