CID 9589518

9-chloro-6h-indolo(2,3-b)quinoxaline-6-acetic acid 2-(1-phenylethylidene)hydrazide

Structural Information

Molecular Formula
C24H18ClN5O
SMILES
C/C(=N\NC(=O)CN1C2=C(C=C(C=C2)Cl)C3=NC4=CC=CC=C4N=C31)/C5=CC=CC=C5
InChI
InChI=1S/C24H18ClN5O/c1-15(16-7-3-2-4-8-16)28-29-22(31)14-30-21-12-11-17(25)13-18(21)23-24(30)27-20-10-6-5-9-19(20)26-23/h2-13H,14H2,1H3,(H,29,31)/b28-15+
InChIKey
UCBLZFKPHWZKGV-RWPZCVJISA-N
Compound name
2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-N-[(E)-1-phenylethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.12 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.12728 200.7
[M+Na]+ 450.10922 211.2
[M-H]- 426.11272 207.9
[M+NH4]+ 445.15382 211.8
[M+K]+ 466.08316 202.6
[M+H-H2O]+ 410.11726 189.1
[M+HCOO]- 472.11820 217.3
[M+CH3COO]- 486.13385 210.1
[M+Na-2H]- 448.09467 207.4
[M]+ 427.11945 207.3
[M]- 427.12055 207.3
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.