CID 10871645

89972-75-8

Structural Information

Molecular Formula
C21H14ClN3
SMILES
C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H14ClN3/c22-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-23-18)25-21(14-16)19-6-2-4-12-24-19/h1-14H
InChIKey
UPOMZZQMFGCHGB-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

343.08762 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.09490 181.8
[M+Na]+ 366.07684 191.3
[M-H]- 342.08034 189.8
[M+NH4]+ 361.12144 190.7
[M+K]+ 382.05078 181.9
[M+H-H2O]+ 326.08488 168.8
[M+HCOO]- 388.08582 196.9
[M+CH3COO]- 402.10147 191.6
[M+Na-2H]- 364.06229 188.0
[M]+ 343.08707 182.3
[M]- 343.08817 182.3
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