CID 3065964

Brn 5668765

Structural Information

Molecular Formula
C24H17ClN6OS
SMILES
COC1=CC=C(C=C1)N2C(=NNC2=S)CN3C4=CC=CC=C4C5=NC6=C(C=CC(=C6)Cl)N=C53
InChI
InChI=1S/C24H17ClN6OS/c1-32-16-9-7-15(8-10-16)31-21(28-29-24(31)33)13-30-20-5-3-2-4-17(20)22-23(30)27-18-11-6-14(25)12-19(18)26-22/h2-12H,13H2,1H3,(H,29,33)
InChIKey
MWUGAIABZNEUSQ-UHFFFAOYSA-N
Compound name
3-[(2-chloroindolo[2,3-b]quinoxalin-6-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.0873 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.09458 211.1
[M+Na]+ 495.07652 232.1
[M+NH4]+ 490.12112 218.8
[M+K]+ 511.05046 222.9
[M-H]- 471.08002 216.7
[M+Na-2H]- 493.06197 219.5
[M]+ 472.08675 216.8
[M]- 472.08785 216.8
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.