CID 687304

2-(4-methoxy-phenyl)-3-phenyl-quinoxaline

Structural Information

Molecular Formula
C21H16N2O
SMILES
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4
InChI
InChI=1S/C21H16N2O/c1-24-17-13-11-16(12-14-17)21-20(15-7-3-2-4-8-15)22-18-9-5-6-10-19(18)23-21/h2-14H,1H3
InChIKey
LTJCRWFXZREOEO-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-3-phenylquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

7
Patents

312.12625 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13353 175.5
[M+Na]+ 335.11547 184.3
[M-H]- 311.11897 183.2
[M+NH4]+ 330.16007 187.6
[M+K]+ 351.08941 177.3
[M+H-H2O]+ 295.12351 163.8
[M+HCOO]- 357.12445 195.6
[M+CH3COO]- 371.14010 186.2
[M+Na-2H]- 333.10092 182.9
[M]+ 312.12570 176.0
[M]- 312.12680 176.0
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