CID 3353435

6,7'-biquinoline

Structural Information

Molecular Formula

C₁₈H₁₂N₂

SMILES

C1=CC2=C(C=C(C=C2)C3=CC4=C(C=C3)N=CC=C4)N=C1

InChI

InChI=1S/C18H12N2/c1-3-13-5-6-15(12-18(13)20-10-1)14-7-8-17-16(11-14)4-2-9-19-17/h1-12H

InChIKey

VUFQRURSBVMJNG-UHFFFAOYSA-N

Compound name

6-quinolin-7-ylquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 256.10004 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	257.10732	158.1
[M+Na]+	279.08926	178.5
[M+NH4]+	274.13386	169.1
[M+K]+	295.06320	167.2
[M-H]-	255.09276	165.1
[M+Na-2H]-	277.07471	171.1
[M]+	256.09949	163.5
[M]-	256.10059	163.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe