CID 3065962

Brn 5659022

Structural Information

Molecular Formula
C23H15ClN6S
SMILES
C1=CC=C(C=C1)N2C(=NNC2=S)CN3C4=CC=CC=C4C5=NC6=C(C=CC(=C6)Cl)N=C53
InChI
InChI=1S/C23H15ClN6S/c24-14-10-11-17-18(12-14)25-21-16-8-4-5-9-19(16)29(22(21)26-17)13-20-27-28-23(31)30(20)15-6-2-1-3-7-15/h1-12H,13H2,(H,28,31)
InChIKey
TXVYWKMQBHEBNT-UHFFFAOYSA-N
Compound name
3-[(2-chloroindolo[2,3-b]quinoxalin-6-yl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.07675 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.08403 202.0
[M+Na]+ 465.06597 223.4
[M+NH4]+ 460.11057 210.5
[M+K]+ 481.03991 213.8
[M-H]- 441.06947 207.9
[M+Na-2H]- 463.05142 211.4
[M]+ 442.07620 207.9
[M]- 442.07730 207.9
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.