CID 85847930

565228-31-1

Structural Information

Molecular Formula
C36H44Br2N2O2
SMILES
CCCCCCCCOC1=CC=CC(=C1)C2=NC3=C(C=CC(=C3N=C2C4=CC(=CC=C4)OCCCCCCCC)Br)Br
InChI
InChI=1S/C36H44Br2N2O2/c1-3-5-7-9-11-13-23-41-29-19-15-17-27(25-29)33-34(40-36-32(38)22-21-31(37)35(36)39-33)28-18-16-20-30(26-28)42-24-14-12-10-8-6-4-2/h15-22,25-26H,3-14,23-24H2,1-2H3
InChIKey
FEVJTZANZCULRJ-UHFFFAOYSA-N
Compound name
5,8-dibromo-2,3-bis(3-octoxyphenyl)quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

694.17694 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 695.18422 241.4
[M+Na]+ 717.16616 245.8
[M-H]- 693.16966 248.6
[M+NH4]+ 712.21076 245.8
[M+K]+ 733.14010 229.1
[M+H-H2O]+ 677.17420 244.1
[M+HCOO]- 739.17514 249.7
[M+CH3COO]- 753.19079 262.7
[M+Na-2H]- 715.15161 239.5
[M]+ 694.17639 280.2
[M]- 694.17749 280.2
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

patents stripe