CID 3088124

6h-indolo(2,3-b)quinoxaline-6-acetic acid, 2-(((4-bromophenyl)amino)thiocarbonyl)hydrazide

Structural Information

Molecular Formula
C23H17BrN6OS
SMILES
C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N=C3N2CC(=O)NNC(=S)NC5=CC=C(C=C5)Br
InChI
InChI=1S/C23H17BrN6OS/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
RDGFAKFAECKWCT-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-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

504.0368 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.04408 195.0
[M+Na]+ 527.02602 206.6
[M-H]- 503.02952 203.6
[M+NH4]+ 522.07062 206.5
[M+K]+ 542.99996 192.3
[M+H-H2O]+ 487.03406 192.4
[M+HCOO]- 549.03500 209.9
[M+CH3COO]- 563.05065 205.6
[M+Na-2H]- 525.01147 204.2
[M]+ 504.03625 217.3
[M]- 504.03735 217.3
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.