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

12
Patents

256.10004 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.107316 157.8
[M+Na]+ 279.089258 168.3
[M-H]- 255.092764 163.8
[M+NH4]+ 274.133863 173.6
[M+K]+ 295.063198 161.1
[M+H-H2O]+ 239.097300 147.6
[M+HCOO]- 301.098241 178.8
[M+CH3COO]- 315.113891 170.0
[M+Na-2H]- 277.074706 169.4
[M]+ 256.09949142 158.5
[M]- 256.10058858 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