CID 9588522

Brn 5661953

Structural Information

Molecular Formula
C24H17Cl2N5O
SMILES
C/C(=N\NC(=O)CN1C2=CC=CC=C2C3=NC4=C(C=CC(=C4)Cl)N=C31)/C5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H17Cl2N5O/c1-14(15-6-8-16(25)9-7-15)29-30-22(32)13-31-21-5-3-2-4-18(21)23-24(31)28-19-11-10-17(26)12-20(19)27-23/h2-12H,13H2,1H3,(H,30,32)/b29-14+
InChIKey
HIYGVDXADISCJT-IPPBACCNSA-N
Compound name
2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.08102 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.08830 207.4
[M+Na]+ 484.07024 226.3
[M+NH4]+ 479.11484 215.7
[M+K]+ 500.04418 216.7
[M-H]- 460.07374 213.6
[M+Na-2H]- 482.05569 216.1
[M]+ 461.08047 212.7
[M]- 461.08157 212.7
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.