CID 58489257

4,4'-bis(5-hexyl-2-thienyl)-2,2'-bipyridyl

Structural Information

Molecular Formula
C30H36N2S2
SMILES
CCCCCCC1=CC=C(S1)C2=CC(=NC=C2)C3=NC=CC(=C3)C4=CC=C(S4)CCCCCC
InChI
InChI=1S/C30H36N2S2/c1-3-5-7-9-11-25-13-15-29(33-25)23-17-19-31-27(21-23)28-22-24(18-20-32-28)30-16-14-26(34-30)12-10-8-6-4-2/h13-22H,3-12H2,1-2H3
InChIKey
DCFNCZSDXIPGOQ-UHFFFAOYSA-N
Compound name
4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)pyridin-2-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

488.232 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.23928 219.4
[M+Na]+ 511.22122 228.3
[M-H]- 487.22472 229.9
[M+NH4]+ 506.26582 229.7
[M+K]+ 527.19516 218.4
[M+H-H2O]+ 471.22926 210.3
[M+HCOO]- 533.23020 232.2
[M+CH3COO]- 547.24585 227.8
[M+Na-2H]- 509.20667 212.1
[M]+ 488.23145 227.9
[M]- 488.23255 227.9
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