CID 3088129

116989-68-5

Structural Information

Molecular Formula
C23H16N6S
SMILES
C1=CC=C(C=C1)N2C(=NNC2=S)CN3C4=CC=CC=C4C5=NC6=CC=CC=C6N=C53
InChI
InChI=1S/C23H16N6S/c30-23-27-26-20(29(23)15-8-2-1-3-9-15)14-28-19-13-7-4-10-16(19)21-22(28)25-18-12-6-5-11-17(18)24-21/h1-13H,14H2,(H,27,30)
InChIKey
KZZCZDBYWVKXJB-UHFFFAOYSA-N
Compound name
3-(indolo[3,2-b]quinoxalin-6-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.11572 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.12300 193.6
[M+Na]+ 431.10494 213.8
[M+NH4]+ 426.14954 201.8
[M+K]+ 447.07888 205.1
[M-H]- 407.10844 199.3
[M+Na-2H]- 429.09039 203.4
[M]+ 408.11517 198.9
[M]- 408.11627 198.9
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.