CID 394874

Nsc698965

Structural Information

Molecular Formula
C16H10BrN3O
SMILES
CC(=O)N1C2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4N=C31
InChI
InChI=1S/C16H10BrN3O/c1-9(21)20-14-7-6-10(17)8-11(14)15-16(20)19-13-5-3-2-4-12(13)18-15/h2-8H,1H3
InChIKey
ALUAZCPDPCHWRG-UHFFFAOYSA-N
Compound name
1-(9-bromoindolo[3,2-b]quinoxalin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.00073 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.00801 170.0
[M+Na]+ 361.98995 186.0
[M-H]- 337.99345 176.6
[M+NH4]+ 357.03455 188.7
[M+K]+ 377.96389 173.2
[M+H-H2O]+ 321.99799 168.5
[M+HCOO]- 383.99893 188.2
[M+CH3COO]- 398.01458 184.2
[M+Na-2H]- 359.97540 178.8
[M]+ 339.00018 193.3
[M]- 339.00128 193.3
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.