CID 57712549

5,8-dibromo-2,3-bis(4-methoxyphenyl)quinoxaline

Structural Information

Molecular Formula
C22H16Br2N2O2
SMILES
COC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3N=C2C4=CC=C(C=C4)OC)Br)Br
InChI
InChI=1S/C22H16Br2N2O2/c1-27-15-7-3-13(4-8-15)19-20(14-5-9-16(28-2)10-6-14)26-22-18(24)12-11-17(23)21(22)25-19/h3-12H,1-2H3
InChIKey
PEHOANSJGUIQOF-UHFFFAOYSA-N
Compound name
5,8-dibromo-2,3-bis(4-methoxyphenyl)quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

497.95786 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.96514 187.3
[M+Na]+ 520.94708 197.3
[M-H]- 496.95058 197.3
[M+NH4]+ 515.99168 198.5
[M+K]+ 536.92102 182.8
[M+H-H2O]+ 480.95512 192.9
[M+HCOO]- 542.95606 200.1
[M+CH3COO]- 556.97171 198.4
[M+Na-2H]- 518.93253 192.3
[M]+ 497.95731 223.7
[M]- 497.95841 223.7
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