CID 8412

2,2'-biquinoline

Structural Information

Molecular Formula
C18H12N2
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C3=NC4=CC=CC=C4C=C3
InChI
InChI=1S/C18H12N2/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18/h1-12H
InChIKey
WPTCSQBWLUUYDV-UHFFFAOYSA-N
Compound name
2-quinolin-2-ylquinoline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

46
References

3460
Patents

256.10004 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10732 157.8
[M+Na]+ 279.08926 168.3
[M-H]- 255.09276 163.8
[M+NH4]+ 274.13386 173.6
[M+K]+ 295.06320 161.1
[M+H-H2O]+ 239.09730 147.6
[M+HCOO]- 301.09824 178.8
[M+CH3COO]- 315.11389 170.0
[M+Na-2H]- 277.07471 169.4
[M]+ 256.09949 158.5
[M]- 256.10059 158.5
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