CID 399099

Nsc709515

Structural Information

Molecular Formula
C21H13ClN4
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3N4C2=NN=C4C5=CC=CC=C5Cl
InChI
InChI=1S/C21H13ClN4/c22-16-11-5-4-10-15(16)20-24-25-21-19(14-8-2-1-3-9-14)23-17-12-6-7-13-18(17)26(20)21/h1-13H
InChIKey
HLPSPPPEQFZLSA-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.0829 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.09018 184.7
[M+Na]+ 379.07212 197.3
[M-H]- 355.07562 191.3
[M+NH4]+ 374.11672 196.1
[M+K]+ 395.04606 187.3
[M+H-H2O]+ 339.08016 172.1
[M+HCOO]- 401.08110 198.8
[M+CH3COO]- 415.09675 195.0
[M+Na-2H]- 377.05757 190.9
[M]+ 356.08235 188.4
[M]- 356.08345 188.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.