CID 3088127

116989-66-3

Structural Information

Molecular Formula
C23H16Cl2N6OS
SMILES
C1=CC=C2C(=C1)N=C3C4=C(C=CC(=C4)Cl)N(C3=N2)CC(=O)NNC(=S)NC5=CC=C(C=C5)Cl
InChI
InChI=1S/C23H16Cl2N6OS/c24-13-5-8-15(9-6-13)26-23(33)30-29-20(32)12-31-19-10-7-14(25)11-16(19)21-22(31)28-18-4-2-1-3-17(18)27-21/h1-11H,12H2,(H,29,32)(H2,26,30,33)
InChIKey
GOVUCFZJNVQOQL-UHFFFAOYSA-N
Compound name
1-[[2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetyl]amino]-3-(4-chlorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.04834 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.05562 211.1
[M+Na]+ 517.03756 227.9
[M+NH4]+ 512.08216 219.0
[M+K]+ 533.01150 217.4
[M-H]- 493.04106 217.1
[M+Na-2H]- 515.02301 219.1
[M]+ 494.04779 216.3
[M]- 494.04889 216.3
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.