CID 11983112

128143-86-2

Structural Information

Molecular Formula
C30H20N6
SMILES
C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC(=NC(=C4)C5=CC=CC=N5)C6=CC=CC=N6
InChI
InChI=1S/C30H20N6/c1-5-13-31-23(9-1)27-17-21(18-28(35-27)24-10-2-6-14-32-24)22-19-29(25-11-3-7-15-33-25)36-30(20-22)26-12-4-8-16-34-26/h1-20H
InChIKey
MJIFJDSQZXDTOT-UHFFFAOYSA-N
Compound name
4-(2,6-dipyridin-2-ylpyridin-4-yl)-2,6-dipyridin-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

464.17496 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.18224 219.3
[M+Na]+ 487.16418 226.5
[M-H]- 463.16768 228.1
[M+NH4]+ 482.20878 216.4
[M+K]+ 503.13812 213.6
[M+H-H2O]+ 447.17222 200.7
[M+HCOO]- 509.17316 232.2
[M+CH3COO]- 523.18881 224.0
[M+Na-2H]- 485.14963 224.8
[M]+ 464.17441 215.3
[M]- 464.17551 215.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe