CID 96510

2,4-bis(benzyl)pyridine

Structural Information

Molecular Formula
C19H17N
SMILES
C1=CC=C(C=C1)CC2=CC(=NC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C19H17N/c1-3-7-16(8-4-1)13-18-11-12-20-19(15-18)14-17-9-5-2-6-10-17/h1-12,15H,13-14H2
InChIKey
FXGBAEGZOCVPCU-UHFFFAOYSA-N
Compound name
2,4-dibenzylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

259.1361 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14338 161.0
[M+Na]+ 282.12532 167.7
[M-H]- 258.12882 168.7
[M+NH4]+ 277.16992 175.6
[M+K]+ 298.09926 161.6
[M+H-H2O]+ 242.13336 151.1
[M+HCOO]- 304.13430 183.5
[M+CH3COO]- 318.14995 172.6
[M+Na-2H]- 280.11077 168.2
[M]+ 259.13555 159.8
[M]- 259.13665 159.8
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