CID 399103

2-(4-chlorophenyl)-5-phenyl-1h-[1,2,4]triazino[4,3-a]quinoxaline

Structural Information

Molecular Formula
C22H15ClN4
SMILES
C1C(=NN=C2N1C3=CC=CC=C3N=C2C4=CC=CC=C4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C22H15ClN4/c23-17-12-10-15(11-13-17)19-14-27-20-9-5-4-8-18(20)24-21(22(27)26-25-19)16-6-2-1-3-7-16/h1-13H,14H2
InChIKey
HABJZKITEFOBAZ-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-5-phenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.0985 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.10578 189.8
[M+Na]+ 393.08772 199.8
[M-H]- 369.09122 194.8
[M+NH4]+ 388.13232 198.2
[M+K]+ 409.06166 189.6
[M+H-H2O]+ 353.09576 175.7
[M+HCOO]- 415.09670 199.7
[M+CH3COO]- 429.11235 198.1
[M+Na-2H]- 391.07317 196.9
[M]+ 370.09795 189.8
[M]- 370.09905 189.8
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.