CID 9588518

Brn 5659428

Structural Information

Molecular Formula
C24H18ClN5O2
SMILES
COC1=CC=C(C=C1)/C=N/NC(=O)CN2C3=CC=CC=C3C4=NC5=C(C=CC(=C5)Cl)N=C42
InChI
InChI=1S/C24H18ClN5O2/c1-32-17-9-6-15(7-10-17)13-26-29-22(31)14-30-21-5-3-2-4-18(21)23-24(30)28-19-11-8-16(25)12-20(19)27-23/h2-13H,14H2,1H3,(H,29,31)/b26-13+
InChIKey
IPBAEWCTTHJAHI-LGJNPRDNSA-N
Compound name
2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.1149 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.12218 205.1
[M+Na]+ 466.10412 223.4
[M+NH4]+ 461.14872 212.8
[M+K]+ 482.07806 214.4
[M-H]- 442.10762 211.2
[M+Na-2H]- 464.08957 213.8
[M]+ 443.11435 209.9
[M]- 443.11545 209.9
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.