CID 9589524

6h-indolo(2,3-b)quinoxaline-6-acetic acid, (1-(2-bromo-4-nitrophenyl)ethylidene)hydrazide

Structural Information

Molecular Formula
C24H17BrN6O3
SMILES
C/C(=N\NC(=O)CN1C2=CC=CC=C2C3=NC4=CC=CC=C4N=C31)/C5=C(C=C(C=C5)[N+](=O)[O-])Br
InChI
InChI=1S/C24H17BrN6O3/c1-14(16-11-10-15(31(33)34)12-18(16)25)28-29-22(32)13-30-21-9-5-2-6-17(21)23-24(30)27-20-8-4-3-7-19(20)26-23/h2-12H,13H2,1H3,(H,29,32)/b28-14+
InChIKey
LOPQVNBKLXVSJH-CCVNUDIWSA-N
Compound name
N-[(E)-1-(2-bromo-4-nitrophenyl)ethylideneamino]-2-indolo[3,2-b]quinoxalin-6-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.05457 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.06185 210.1
[M+Na]+ 539.04379 218.5
[M-H]- 515.04729 219.7
[M+NH4]+ 534.08839 219.3
[M+K]+ 555.01773 202.5
[M+H-H2O]+ 499.05183 208.5
[M+HCOO]- 561.05277 229.1
[M+CH3COO]- 575.06842 238.8
[M+Na-2H]- 537.02924 219.6
[M]+ 516.05402 231.0
[M]- 516.05512 231.0
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.