CID 394885

Nsc698976

Structural Information

Molecular Formula
C22H15BrN4O
SMILES
C1=CC=C(C=C1)NC(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42
InChI
InChI=1S/C22H15BrN4O/c23-14-10-11-19-16(12-14)21-22(26-18-9-5-4-8-17(18)25-21)27(19)13-20(28)24-15-6-2-1-3-7-15/h1-12H,13H2,(H,24,28)
InChIKey
LSEGQYZOWBFXQE-UHFFFAOYSA-N
Compound name
2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.0429 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.05018 194.1
[M+Na]+ 453.03212 207.0
[M-H]- 429.03562 202.8
[M+NH4]+ 448.07672 207.9
[M+K]+ 469.00606 193.2
[M+H-H2O]+ 413.04016 190.4
[M+HCOO]- 475.04110 212.1
[M+CH3COO]- 489.05675 205.7
[M+Na-2H]- 451.01757 202.4
[M]+ 430.04235 215.7
[M]- 430.04345 215.7
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.