CID 394879

Nsc698970

Structural Information

Molecular Formula
C20H12BrN3O2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42
InChI
InChI=1S/C20H12BrN3O2S/c21-13-10-11-18-15(12-13)19-20(23-17-9-5-4-8-16(17)22-19)24(18)27(25,26)14-6-2-1-3-7-14/h1-12H
InChIKey
GWJFVXRSAPKLCU-UHFFFAOYSA-N
Compound name
6-(benzenesulfonyl)-9-bromoindolo[3,2-b]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.98337 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.99065 187.7
[M+Na]+ 459.97259 204.2
[M-H]- 435.97609 197.5
[M+NH4]+ 455.01719 202.9
[M+K]+ 475.94653 191.0
[M+H-H2O]+ 419.98063 187.0
[M+HCOO]- 481.98157 201.4
[M+CH3COO]- 495.99722 200.9
[M+Na-2H]- 457.95804 197.1
[M]+ 436.98282 212.9
[M]- 436.98392 212.9
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.