CID 394880

Nsc698971

Structural Information

Molecular Formula
C20H11Br2N3O2S
SMILES
C1=CC=C2C(=C1)N=C3C4=C(C=CC(=C4)Br)N(C3=N2)S(=O)(=O)C5=CC=C(C=C5)Br
InChI
InChI=1S/C20H11Br2N3O2S/c21-12-5-8-14(9-6-12)28(26,27)25-18-10-7-13(22)11-15(18)19-20(25)24-17-4-2-1-3-16(17)23-19/h1-11H
InChIKey
RRWBGGIOMXSDOP-UHFFFAOYSA-N
Compound name
9-bromo-6-(4-bromophenyl)sulfonylindolo[3,2-b]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.89386 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.90114 175.7
[M+Na]+ 537.88308 190.2
[M-H]- 513.88658 185.6
[M+NH4]+ 532.92768 189.7
[M+K]+ 553.85702 175.8
[M+H-H2O]+ 497.89112 184.8
[M+HCOO]- 559.89206 186.0
[M+CH3COO]- 573.90771 188.6
[M+Na-2H]- 535.86853 184.6
[M]+ 514.89331 215.3
[M]- 514.89441 215.3
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

No patent data available for this compound.