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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	288.174676	170.6
[M+Na]+	310.156618	178.0
[M-H]-	286.160124	178.9
[M+NH4]+	305.201223	184.7
[M+K]+	326.130558	171.9
[M+H-H2O]+	270.164660	161.1
[M+HCOO]-	332.165601	190.9
[M+CH3COO]-	346.181251	181.9
[M+Na-2H]-	308.142066	176.6
[M]+	287.16685142	170.0
[M]-	287.16794858	170.0

Literature stripe

literature stripe

Patent stripe

patents stripe