CID 15771932

1,2-bis(4'-methyl-2,2'-bipyridin-4-yl)ethane

Structural Information

Molecular Formula
C24H22N4
SMILES
CC1=CC(=NC=C1)C2=NC=CC(=C2)CCC3=CC(=NC=C3)C4=NC=CC(=C4)C
InChI
InChI=1S/C24H22N4/c1-17-5-9-25-21(13-17)23-15-19(7-11-27-23)3-4-20-8-12-28-24(16-20)22-14-18(2)6-10-26-22/h5-16H,3-4H2,1-2H3
InChIKey
KLTATORHZNMNDJ-UHFFFAOYSA-N
Compound name
2-(4-methylpyridin-2-yl)-4-[2-[2-(4-methylpyridin-2-yl)pyridin-4-yl]ethyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

366.18445 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.19173 194.7
[M+Na]+ 389.17367 203.1
[M-H]- 365.17717 201.6
[M+NH4]+ 384.21827 200.7
[M+K]+ 405.14761 193.8
[M+H-H2O]+ 349.18171 180.4
[M+HCOO]- 411.18265 212.0
[M+CH3COO]- 425.19830 203.1
[M+Na-2H]- 387.15912 199.1
[M]+ 366.18390 194.6
[M]- 366.18500 194.6
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