CID 394876

Nsc698967

Structural Information

Molecular Formula
C21H11Br2N3O
SMILES
C1=CC=C2C(=C1)N=C3C4=C(C=CC(=C4)Br)N(C3=N2)C(=O)C5=CC=C(C=C5)Br
InChI
InChI=1S/C21H11Br2N3O/c22-13-7-5-12(6-8-13)21(27)26-18-10-9-14(23)11-15(18)19-20(26)25-17-4-2-1-3-16(17)24-19/h1-11H
InChIKey
YQYVUGHGGUGFFK-UHFFFAOYSA-N
Compound name
(9-bromoindolo[3,2-b]quinoxalin-6-yl)-(4-bromophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.92688 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.93416 183.5
[M+Na]+ 501.91610 195.9
[M-H]- 477.91960 192.6
[M+NH4]+ 496.96070 197.4
[M+K]+ 517.89004 181.4
[M+H-H2O]+ 461.92414 190.5
[M+HCOO]- 523.92508 196.5
[M+CH3COO]- 537.94073 195.3
[M+Na-2H]- 499.90155 190.2
[M]+ 478.92633 220.2
[M]- 478.92743 220.2
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

No patent data available for this compound.