CID 3065965

Brn 5672336

Structural Information

Molecular Formula
C25H19ClN6OS
SMILES
CCOC1=CC=CC=C1N2C(=NNC2=S)CN3C4=CC=CC=C4C5=NC6=C(C=CC(=C6)Cl)N=C53
InChI
InChI=1S/C25H19ClN6OS/c1-2-33-21-10-6-5-9-20(21)32-22(29-30-25(32)34)14-31-19-8-4-3-7-16(19)23-24(31)28-17-12-11-15(26)13-18(17)27-23/h3-13H,2,14H2,1H3,(H,30,34)
InChIKey
JICGDHXOZKBLIC-UHFFFAOYSA-N
Compound name
3-[(2-chloroindolo[2,3-b]quinoxalin-6-yl)methyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.10297 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.11025 215.3
[M+Na]+ 509.09219 236.1
[M+NH4]+ 504.13679 222.9
[M+K]+ 525.06613 226.7
[M-H]- 485.09569 220.9
[M+Na-2H]- 507.07764 223.5
[M]+ 486.10242 221.0
[M]- 486.10352 221.0
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.