CID 394887

Nsc698978

Structural Information

Molecular Formula
C23H17BrN4O
SMILES
C1=CC=C(C=C1)CNC(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42
InChI
InChI=1S/C23H17BrN4O/c24-16-10-11-20-17(12-16)22-23(27-19-9-5-4-8-18(19)26-22)28(20)14-21(29)25-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,29)
InChIKey
VUAGFSYOPZXUCQ-UHFFFAOYSA-N
Compound name
N-benzyl-2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.05856 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.06584 198.5
[M+Na]+ 467.04778 210.9
[M-H]- 443.05128 207.0
[M+NH4]+ 462.09238 211.8
[M+K]+ 483.02172 196.9
[M+H-H2O]+ 427.05582 194.6
[M+HCOO]- 489.05676 216.2
[M+CH3COO]- 503.07241 209.7
[M+Na-2H]- 465.03323 206.3
[M]+ 444.05801 220.4
[M]- 444.05911 220.4
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.