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

26
Patents

256.10004 Da
Monoisotopic Mass

4.1
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

No literature data available for this compound.

Patent stripe

patents stripe