CID 3065967

Brn 5662419

Structural Information

Molecular Formula
C23H15BrN6S
SMILES
C1=CC=C(C=C1)N2C(=NNC2=S)CN3C4=C(C=C(C=C4)Br)C5=NC6=CC=CC=C6N=C53
InChI
InChI=1S/C23H15BrN6S/c24-14-10-11-19-16(12-14)21-22(26-18-9-5-4-8-17(18)25-21)29(19)13-20-27-28-23(31)30(20)15-6-2-1-3-7-15/h1-12H,13H2,(H,28,31)
InChIKey
VSAMQOYOKLLXOK-UHFFFAOYSA-N
Compound name
3-[(9-bromoindolo[3,2-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

486.02625 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.03353 202.4
[M+Na]+ 509.01547 212.3
[M+NH4]+ 504.06007 206.8
[M+K]+ 524.98941 209.7
[M-H]- 485.01897 205.9
[M+Na-2H]- 507.00092 207.6
[M]+ 486.02570 204.4
[M]- 486.02680 204.4
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.