CID 3088123

116989-62-9

Structural Information

Molecular Formula
C23H17ClN6OS
SMILES
C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N=C3N2CC(=O)NNC(=S)NC5=CC=C(C=C5)Cl
InChI
InChI=1S/C23H17ClN6OS/c24-14-9-11-15(12-10-14)25-23(32)29-28-20(31)13-30-19-8-4-1-5-16(19)21-22(30)27-18-7-3-2-6-17(18)26-21/h1-12H,13H2,(H,28,31)(H2,25,29,32)
InChIKey
AWHKIPIUIGJVGC-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-[(2-indolo[3,2-b]quinoxalin-6-ylacetyl)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.0873 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.09458 203.1
[M+Na]+ 483.07652 219.1
[M+NH4]+ 478.12112 211.0
[M+K]+ 499.05046 209.4
[M-H]- 459.08002 209.3
[M+Na-2H]- 481.06197 211.8
[M]+ 460.08675 207.9
[M]- 460.08785 207.9
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.