CID 6537072

Brn 5679472

Structural Information

Molecular Formula
C24H16BrClN6O3
SMILES
C/C(=N/NC(=O)CN1C2=CC=CC=C2C3=NC4=C(C=CC(=C4)Cl)N=C31)/C5=CC(=C(C=C5)Br)[N+](=O)[O-]
InChI
InChI=1S/C24H16BrClN6O3/c1-13(14-6-8-17(25)21(10-14)32(34)35)29-30-22(33)12-31-20-5-3-2-4-16(20)23-24(31)28-18-9-7-15(26)11-19(18)27-23/h2-11H,12H2,1H3,(H,30,33)/b29-13-
InChIKey
UEPNCIUKVSOTKI-DBFSUHOCSA-N
Compound name
N-[(Z)-1-(4-bromo-3-nitrophenyl)ethylideneamino]-2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.01556 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.02284 219.3
[M+Na]+ 573.00478 226.4
[M+NH4]+ 568.04938 222.3
[M+K]+ 588.97872 226.9
[M-H]- 549.00828 223.6
[M+Na-2H]- 570.99023 222.4
[M]+ 550.01501 220.7
[M]- 550.01611 220.7
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.