CID 9589509

9-chloro-6h-indolo(2,3-b)quinoxaline-6-acetic acid 2-(phenylmethylene)hydrazide

Structural Information

Molecular Formula
C23H16ClN5O
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)CN2C3=C(C=C(C=C3)Cl)C4=NC5=CC=CC=C5N=C42
InChI
InChI=1S/C23H16ClN5O/c24-16-10-11-20-17(12-16)22-23(27-19-9-5-4-8-18(19)26-22)29(20)14-21(30)28-25-13-15-6-2-1-3-7-15/h1-13H,14H2,(H,28,30)/b25-13+
InChIKey
BGTSNMZMFNVAFD-DHRITJCHSA-N
Compound name
N-[(E)-benzylideneamino]-2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.10434 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.11162 196.9
[M+Na]+ 436.09356 215.6
[M+NH4]+ 431.13816 205.4
[M+K]+ 452.06750 206.2
[M-H]- 412.09706 203.4
[M+Na-2H]- 434.07901 206.6
[M]+ 413.10379 201.9
[M]- 413.10489 201.9
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.