CID 513398

Chembl354625

Structural Information

Molecular Formula
C24H16N2
SMILES
C1=CC=C2C(=C1)C=C(C=N2)C#CCCC#CC3=CC4=CC=CC=C4N=C3
InChI
InChI=1S/C24H16N2/c1(3-9-19-15-21-11-5-7-13-23(21)25-17-19)2-4-10-20-16-22-12-6-8-14-24(22)26-18-20/h5-8,11-18H,1-2H2
InChIKey
JYMWGTLFCZCGDR-UHFFFAOYSA-N
Compound name
3-(6-quinolin-3-ylhexa-1,5-diynyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

332.13135 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13863 189.5
[M+Na]+ 355.12057 201.4
[M-H]- 331.12407 189.4
[M+NH4]+ 350.16517 196.8
[M+K]+ 371.09451 186.9
[M+H-H2O]+ 315.12861 171.3
[M+HCOO]- 377.12955 195.2
[M+CH3COO]- 391.14520 193.5
[M+Na-2H]- 353.10602 191.0
[M]+ 332.13080 180.4
[M]- 332.13190 180.4
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

No patent data available for this compound.