CID 346903

2-methyl-3-phenylquinoxaline

Structural Information

Molecular Formula
C15H12N2
SMILES
CC1=NC2=CC=CC=C2N=C1C3=CC=CC=C3
InChI
InChI=1S/C15H12N2/c1-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16-11/h2-10H,1H3
InChIKey
FPAQDFDMDUFBPS-UHFFFAOYSA-N
Compound name
2-methyl-3-phenylquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

151
Patents

220.10005 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.107326 149.0
[M+Na]+ 243.089268 158.6
[M-H]- 219.092774 154.0
[M+NH4]+ 238.133873 165.6
[M+K]+ 259.063208 153.1
[M+H-H2O]+ 203.097310 139.8
[M+HCOO]- 265.098251 170.1
[M+CH3COO]- 279.113901 161.6
[M+Na-2H]- 241.074716 158.3
[M]+ 220.09950142 148.8
[M]- 220.10059858 148.8
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