CID 81109

2,3-dipyridyl-6,7-dimethylquinoxaline

Structural Information

Molecular Formula
C20H16N4
SMILES
CC1=CC2=C(C=C1C)N=C(C(=N2)C3=CC=CC=N3)C4=CC=CC=N4
InChI
InChI=1S/C20H16N4/c1-13-11-17-18(12-14(13)2)24-20(16-8-4-6-10-22-16)19(23-17)15-7-3-5-9-21-15/h3-12H,1-2H3
InChIKey
NACXMBPTPBZQHY-UHFFFAOYSA-N
Compound name
6,7-dimethyl-2,3-dipyridin-2-ylquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

54
Patents

312.13748 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14476 179.0
[M+Na]+ 335.12670 189.4
[M-H]- 311.13020 184.4
[M+NH4]+ 330.17130 188.7
[M+K]+ 351.10064 181.0
[M+H-H2O]+ 295.13474 166.2
[M+HCOO]- 357.13568 196.3
[M+CH3COO]- 371.15133 188.9
[M+Na-2H]- 333.11215 186.1
[M]+ 312.13693 179.2
[M]- 312.13803 179.2
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

No patent data available for this compound.