CID 84435

2,6-bis(p-tolyl)pyridine

Structural Information

Molecular Formula
C19H17N
SMILES
CC1=CC=C(C=C1)C2=NC(=CC=C2)C3=CC=C(C=C3)C
InChI
InChI=1S/C19H17N/c1-14-6-10-16(11-7-14)18-4-3-5-19(20-18)17-12-8-15(2)9-13-17/h3-13H,1-2H3
InChIKey
BLRYHCTZTSRBNB-UHFFFAOYSA-N
Compound name
2,6-bis(4-methylphenyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

259.1361 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14338 161.0
[M+Na]+ 282.12532 169.7
[M-H]- 258.12882 169.6
[M+NH4]+ 277.16992 176.3
[M+K]+ 298.09926 163.6
[M+H-H2O]+ 242.13336 151.5
[M+HCOO]- 304.13430 183.6
[M+CH3COO]- 318.14995 173.4
[M+Na-2H]- 280.11077 166.7
[M]+ 259.13555 160.7
[M]- 259.13665 160.7
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