CID 667566

2-phenylbenzo[g]quinoxaline

Structural Information

Molecular Formula
C18H12N2
SMILES
C1=CC=C(C=C1)C2=NC3=CC4=CC=CC=C4C=C3N=C2
InChI
InChI=1S/C18H12N2/c1-2-6-13(7-3-1)18-12-19-16-10-14-8-4-5-9-15(14)11-17(16)20-18/h1-12H
InChIKey
NZFXNLXEQRQPJT-UHFFFAOYSA-N
Compound name
3-phenylbenzo[g]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

18
Patents

256.10004 Da
Monoisotopic Mass

3.8
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

literature stripe

Patent stripe

patents stripe